474	486	955	5:SP3_SP3_SP3	C[5]	C[3,5]	P[5]	4:4:1:1:	4:4:2:1:	4:4:3:1:	C[3,5]-4:P[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:N-3:O-1:	C[5](C[3,5]C[3,5]O[3]H)(P[5]C[5]NO)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H)	P[5](C[5]C[3,5]HH)2(NCC)(O)	C[5](C[3,5]C[3,5]O[3]H)(P[5]C[5]NO)(H)2{3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H){1|N<3>,1|O<1>,2|H<1>}	P[5](C[5]C[3,5]HH)2(NCC)(O){1|O<2>,2|H<1>}	105.7620	0.297	2	105.7620	0.088	2	105.7620	0.088	2	105.7620	0.088	2	106.4550	1.485	3	106.4550	1.485	3
474	486	955	5:SP3_SP3_SP3	C[5]	C[3,5]	P[5]	4:4:1:1:	4:4:4:4:	3:4:4:4:	C[3,5]-4:P[5]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(P[5]C[5]CC)(H)2	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3)	P[5](C[5]C[3,5,6]C)(C[5]C[3,5]HH)(CC3)2	C[5](C[3,5]C[3,5,6]C[3,6]C)(P[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3){1|B<4>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	P[5](C[5]C[3,5,6]C)(C[5]C[3,5]HH)(CC3)2{1|C<3>,2|C<4>}	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	106.4550	1.485	3	106.4550	1.485	3
474	486	956	0:SP3_SP2_SP3	C[5,5]	C[3,5,5]	N	3:3:4:3:	4:4:4:3:	4:1:1:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:N-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:O-1:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(NOO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O)	N(C[5,5]C[3,5,5]C[5,6a]2)(O)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(NOO){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O){4|C<3>}	N(C[5,5]C[3,5,5]C[5,6a]2)(O)2	113.5720	0.000	1	113.5720	0.000	1	113.5720	0.000	1	113.5720	0.000	1	113.5720	0.000	1	113.2311	15.686	7
474	486	956	0:SP3_SP2_SP3	C[5]	C[3,5]	N	3:4:3:1:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[3,5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(NC[6a]H)(H)	C[3,5](C[5]C[5,6a]HN)2(C[3]C[3]HH)2	N(C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(NC[6a]H)(H){1|N<3>,2|C<3>,6|H<1>}	C[3,5](C[5]C[5,6a]HN)2(C[3]C[3]HH)2{2|C<3>}	N(C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]2)(H)	118.3000	0.846	2	118.3000	0.715	2	118.3000	0.715	2	118.3000	0.715	2	113.1743	18.796	6	113.2311	15.686	7
474	486	956	0:SP3_SP2_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C-3:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCH)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	N(C[5]C[3,5]C[5]H)(COO)(H)	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[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|C<4>,3|H<1>}	N(C[5]C[3,5]C[5]H)(COO)(H)	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	113.1743	18.796	6	113.2311	15.686	7
474	486	956	0:SP3_SP2_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:S-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HN)(H)	N(C[5]C[3,5]C[5]H)(SCOO)(H)	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[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HN)(H){4|H<1>}	N(C[5]C[3,5]C[5]H)(SCOO)(H)	108.7690	0.000	1	108.7690	0.000	1	109.2880	0.539	2	109.2880	0.539	2	113.1743	18.796	6	113.2311	15.686	7
474	486	956	0:SP3_SP2_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:S-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(H)	N(C[5]C[3,5]C[5]H)(SCOO)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H){5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(H){4|H<1>}	N(C[5]C[3,5]C[5]H)(SCOO)(H)	109.8070	0.000	1	109.8070	0.000	1	109.2880	0.539	2	109.2880	0.539	2	113.1743	18.796	6	113.2311	15.686	7
474	486	956	0:SP3_SP2_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[5]-4:C-3:N-3:	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)(NCN)(H)	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]C[5]H)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	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[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]C[5]H){1|C<3>,2|H<1>}	N(C[5]C[3,5]C[5]H)(COO)(NCH)	113.7930	0.000	1	113.7930	0.000	1	113.7930	0.000	1	113.7930	0.000	1	113.1743	18.796	6	113.2311	15.686	7
474	486	956	0:SP3_SP3_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:S-4:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NHS)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H)	N(C[5]C[3,5]C[5]H)(SC[6a]OO)(H)	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[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	N(C[5]C[3,5]C[5]H)(SC[6a]OO)(H)	113.6003	1.882	4	113.6003	3.542	4	113.6003	3.542	4	113.6003	3.542	4	112.7880	5.626	11	112.7880	5.626	11
474	486	956	0:SP3_SP3_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C-4:C-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	N(C[5]C[3,5]C[5]H)(CC[6a]HH)2	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[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|O<2>,3|H<1>}	N(C[5]C[3,5]C[5]H)(CC[6a]HH)2	112.7440	0.000	1	112.5413	2.885	4	112.5413	2.885	4	112.5413	2.885	4	112.7880	5.626	11	112.7880	5.626	11
474	486	956	0:SP3_SP3_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C-4:C-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	N(C[5]C[3,5]C[5]H)(CC[6a]HH)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	N(C[5]C[3,5]C[5]H)(CC[6a]HH)2	112.4737	2.074	3	112.5413	2.885	4	112.5413	2.885	4	112.5413	2.885	4	112.7880	5.626	11	112.7880	5.626	11
474	486	956	0:SP3_SP3_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:3:4:	4:3:1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]HH)(NC[6a]H)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN)	N(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	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[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN){2|C<3>,6|H<1>}	N(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	112.7880	5.626	11	112.7880	5.626	11
474	486	956	0:SP3_SP3_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-4:	C[5]-4:S-4:H-1:	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]CH)(NHS)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HN)(CCHH)	N(C[5]C[3,5]C[5]H)(SO3)(H)	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[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HN)(CCHH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N(C[5]C[3,5]C[5]H)(SO3)(H)	115.8960	0.000	1	115.8960	0.000	1	115.8960	0.000	1	114.1185	6.319	2	112.7880	5.626	11	112.7880	5.626	11
474	486	956	0:SP3_SP3_SP3	C[5]	C[3,5]	N	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[5]-4:C-4:H-1:	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO)	N(C[5]C[3,5]C[5]H)(CC[6a]HH)(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H){3|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO){1|H<1>,1|O<2>}	N(C[5]C[3,5]C[5]H)(CC[6a]HH)(H)	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	114.1185	6.319	2	112.7880	5.626	11	112.7880	5.626	11
474	486	960	5:SP3_SP2_SP3	C[5,5]	C[3,5]	N[5]	4:3:3:2:	4:4:4:3:	4:3:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5]-2:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5])	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	N[5](C[5,5]C[5,6a]2C[3,5])(C[5]C[3,5]C[6a])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|N<2>,2|H<1>}	N[5](C[5,5]C[5,6a]2C[3,5])(C[5]C[3,5]C[6a]){1|C<4>,1|N<2>,7|C<3>}	106.5005	0.295	2	106.5005	0.087	2	106.5005	0.087	2	106.5005	0.087	2	106.5005	0.087	2	106.5132	1.861	8
474	486	960	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:2:1:1:	4:4:4:1:	3:4:	C[3,5]-4:N[5]-2:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-3:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]C[6a])(C[5]C[3,5]HH)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2{1|H<1>,3|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H){3|C<3>}	N[5](C[5]C[3,5]C[6a])(C[5]C[3,5]HH){1|C<4>,1|H<1>,3|C<3>}	107.0390	0.113	2	107.0390	0.013	2	107.0390	0.013	2	107.0390	0.013	2	106.5175	2.588	6	106.5132	1.861	8
474	486	960	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:2:1:1:	4:4:4:1:	4:3:	C[3,5]-4:N[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]S)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2{1|C<3>,1|S<2>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|S<2>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]S){1|C<3>,1|C<4>,1|H<1>}	107.5660	0.236	2	107.5660	0.056	2	107.5660	0.056	2	107.5660	0.056	2	106.5175	2.588	6	106.5132	1.861	8
474	486	960	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:2:1:1:	4:4:4:2:	3:4:	C[3,5]-4:N[5]-2:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[5]-3:C[5]-4:	C[5](C[3,5]C[3]2O[5])(N[5]C[5])(H)2	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5])	N[5](C[5]C[6a]O[5])(C[5]C[3,5]HH)	C[5](C[3,5]C[3]2O[5])(N[5]C[5])(H)2{2|H<1>,3|C<3>}	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5]){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[3,5]HH){2|C<3>,2|C<4>}	103.3350	0.000	1	103.3350	0.000	1	103.3350	0.000	1	103.3350	0.000	1	106.5175	2.588	6	106.5132	1.861	8
474	486	960	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[6a]-3:N[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]C[6a])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H){3|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]C[6a]){1|C<4>,1|H<1>,5|C<3>}	106.5600	0.000	1	106.5600	0.000	1	106.5600	0.000	1	106.5600	0.000	1	106.5175	2.588	6	106.5132	1.861	8
474	486	976	0:SP3_SP2_SP3	C[5,5,6]	C[3,6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[3,6]-4:C[5,5,6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:C[3,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5]-3:	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])	C[3,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(CH3)	O[5](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5]C[5]O)	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>}	C[3,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5]C[5]O){4|H<1>,6|C<4>}	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,5]	C[3,5]	O[5]	4:4:2:4:	4:4:4:4:	3:4:	C[3,5]-4:C[5]-4:O[5]-2:C[5]-4:	C[3,5]-4:C[5,5]-4:C[3]-4:C-4:	C[5,6a]-3:C[5,5]-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)	C[3,5](C[3,5]C[3]C[5]H)(C[5,5]C[5]2O[5])(C[3]C[3,5]HH)(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]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){2|C<3>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5,5]C[5]2O[5])(C[3]C[3,5]HH)(CH3){2|C<3>,6|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]2){2|C<3>,4|C<4>,5|H<1>}	107.4435	2.248	2	107.4435	5.053	2	107.4435	5.053	2	107.4435	5.053	2	108.3741	3.432	14	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,5]	C[3,5]	O[5]	4:4:3:2:	4:4:4:3:	4:3:	C[3,5]-4:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[3]-4:C[3]-4:C[5]-3:	C[5,5]-4:C[5]-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])	C[3,5](C[5,5]C[5,5]C[6a]O[5])(C[3]C[3]HH)2(C[5]N[5]O)	O[5](C[5,5]C[3,5]C[5,5]C[6a])(C[5]C[5]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]){1|O<1>,3|C<3>,8|H<1>}	C[3,5](C[5,5]C[5,5]C[6a]O[5])(C[3]C[3]HH)2(C[5]N[5]O){1|H<1>,5|C<3>}	O[5](C[5,5]C[3,5]C[5,5]C[6a])(C[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.3741	3.432	14	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,5]	C[3,5]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[5]-3:	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])	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	O[5](C[5,5]C[3,5]C[5,6]C[5])(C[5]C[5]O)	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>}	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,5]C[3,5]C[5,6]C[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	107.0045	0.675	4	107.3852	1.602	6	107.3852	1.602	6	107.3852	1.602	6	108.3741	3.432	14	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,5]	C[3,5]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[5]-3:	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])	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	O[5](C[5,5]C[3,5]C[5,6]C[5])(C[5]C[5]O)	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>}	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,5]C[3,5]C[5,6]C[5])(C[5]C[5]O){2|O<2>,3|H<1>,5|C<4>}	109.7120	0.000	1	107.3852	1.602	6	107.3852	1.602	6	107.3852	1.602	6	108.3741	3.432	14	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,5]	C[3,5]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[5]-3:	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])	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	O[5](C[5,5]C[3,5]C[5,6]C[5])(C[5]C[5]O)	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>}	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,5]C[3,5]C[5,6]C[5])(C[5]C[5]O){1|O<2>,4|H<1>,5|C<4>}	106.5810	0.000	1	107.3852	1.602	6	107.3852	1.602	6	107.3852	1.602	6	108.3741	3.432	14	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,5]	C[3,5]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[3,5]-4:C[3]-4:H-1:	C[5,5]-4:C[5]-3:	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])	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H)	O[5](C[5,5]C[3,5]C[5,6]C[5])(C[5]C[5]O)	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>}	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H){1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,5]C[3,5]C[5,6]C[5])(C[5]C[5]O){5|C<4>,5|H<1>}	109.9018	1.751	5	109.9018	3.066	5	109.9018	3.066	5	109.9018	3.066	5	108.3741	3.432	14	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,6,6]	C[3,6]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[3,6]-4:C[3,6]-4:C[5,6,6]-4:O[5]-2:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3,6]C[3,6]O[3]H)2(C[5,6,6]C[6]2O[5])(O[5]C[5])	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5](C[5,6,6]C[5,6,6]C[3,6]2)(C[5]O[5]O)	C[5,6,6](C[3,6]C[3,6]O[3]H)2(C[5,6,6]C[6]2O[5])(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[5](C[5,6,6]C[5,6,6]C[3,6]2)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	107.6215	0.808	2	107.6215	0.653	2	107.6215	0.653	2	107.6215	0.653	2	107.6215	0.653	2	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:1:	3:4:4:4:	4:3:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[5,6]-4:C[5]-3:	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[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]O)	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[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	109.0789	10.432	9	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-3:	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O)	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.8810	0.000	1	111.0948	2.975	4	111.0948	2.975	4	111.0948	2.975	4	109.0789	10.432	9	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-3:	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O)	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O){1|O<2>,2|H<1>,4|C<4>}	110.5720	0.000	1	111.0948	2.975	4	111.0948	2.975	4	111.0948	2.975	4	109.0789	10.432	9	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-3:	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O)	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O){1|O<2>,2|H<1>,4|C<4>}	112.4630	0.074	2	111.0948	2.975	4	111.0948	2.975	4	111.0948	2.975	4	109.0789	10.432	9	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:4:	4:4:2:1:	3:4:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6a]-3:C[5,6]-4:	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)	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[3,6]C[5,6]C)	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>}	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[3,6]C[5,6]C){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	109.0789	10.432	9	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:4:	4:4:2:1:	4:3:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,6a]-3:	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)	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5](C[5,6]C[3,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])	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>}	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[3,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	105.4237	0.623	3	105.4237	0.388	3	105.4237	0.388	3	105.4237	0.388	3	109.0789	10.432	9	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:2:	4:3:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]CH)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5])	O[5](C[5]C[3,5]C[5]H)(C[5]C[5]O)	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[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<3>,2|C<4>,5|H<1>}	O[5](C[5]C[3,5]C[5]H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	111.4050	0.656	3	111.4050	0.431	3	111.4050	0.431	3	111.4050	0.431	3	111.4050	0.431	3	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	3:4:2:1:	4:4:4:3:	4:3:	C[5,6]-3:C[3]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H)	C[3](C[5]C[5,6]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(COO)	O[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H){2|O<1>,3|C<4>,3|H<1>}	C[3](C[5]C[5,6]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(COO){3|C<3>}	O[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O){2|C<3>,3|C<4>}	108.3125	1.187	4	108.3125	1.410	4	108.3125	1.410	4	108.3125	1.410	4	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[3,5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]H)(C[5]C[3,5]O)	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[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[3]C[5]H)(C[5]C[3,5]O){1|O<2>,2|H<1>,4|C<4>}	107.6470	0.000	1	107.6470	0.000	1	107.0536	1.218	40	107.0536	1.218	40	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5,5]O)	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[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[3]C[5]H)(C[5]C[5,5]O){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	107.0780	0.000	1	107.0725	0.000	2	107.0536	1.218	40	107.0536	1.218	40	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5,5]O)	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[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[3]C[5]H)(C[5]C[5,5]O){2|H<1>,2|O<2>,3|C<4>}	107.0670	0.000	1	107.0725	0.000	2	107.0536	1.218	40	107.0536	1.218	40	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]O)	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[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[3]C[5]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.4251	0.698	10	107.0365	1.310	37	107.0536	1.218	40	107.0536	1.218	40	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]O)	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[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[3]C[5]H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	106.5785	0.791	24	107.0365	1.310	37	107.0536	1.218	40	107.0536	1.218	40	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]O)	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[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[3]C[5]H)(C[5]C[5]O){2|H<1>,2|O<2>,3|C<4>}	106.0720	0.797	3	107.0365	1.310	37	107.0536	1.218	40	107.0536	1.218	40	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:4:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]C)(C[5]C[4]N[5]C)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	O[5](C[5]C[3]C[5]H)(C[5]N[5]O)	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[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<3>,2|C<4>}	O[5](C[5]C[3]C[5]H)(C[5]N[5]O){1|H<1>,1|O<2>,4|C<4>}	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]O)	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[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[3]C[5]H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:2:	4:4:2:3:	4:3:	C[5,6]-4:C[3]-4:O[5]-2:O-2:	C[5]-4:C[3]-4:O[3]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi)	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO)	O[5](C[5]C[5,6]C[3]O)(C[5]N[5,6]O)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO){1|C<4>,1|N<3>,2|C<3>}	O[5](C[5]C[5,6]C[3]O)(C[5]N[5,6]O){1|O<2>,2|C<3>,3|C<4>}	105.1710	0.000	1	105.1710	0.000	1	105.1710	0.000	1	105.1710	0.000	1	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:4:	4:4:2:1:	3:4:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[3,6]-4:C[5]-4:O[3]-2:H-1:	C[5,6]-3:C[5]-4:	C[5](C[3]C[3,6]O[3]H)(C[5]C[5,6]HH)(O[5]C[5,6])(CH3)	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[3]C[5]C)	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>}	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H){2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[3]C[5]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP2_SP3	C[5]	C[3]	O[5]	4:4:2:4:	4:4:2:4:	4:3:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO)	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	O[5](C[5]C[3]C[5]C)(C[5]C[5]O)	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>}	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[3]C[5]C)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	107.1515	0.351	2	107.1515	0.124	2	107.1515	0.124	2	107.1515	0.124	2	107.2219	1.511	50	107.8023	3.584	79
474	486	976	0:SP3_SP3_SP3	C[3x5,6,6]	C[3,5,6]	O[5,5]	4:3:4:2:	4:4:3:4:	4:4:	C[3,5,6]-4:N[5,5,6]-3:C[5,6,6]-4:O[5,5]-2:	C[3x5,6,6]-4:C[3,6]-4:C[5,6a]-3:C[3]-4:	C[3x5,6,6]-4:C[5,5,6]-4:	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])	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH)	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C)	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>}	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH){3|C<4>,4|H<1>,5|C<3>}	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	3:4:3:2:	4:4:2:2:	4:4:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5])	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	112.8600	0.663	2	112.8600	0.440	2	112.8600	0.440	2	112.8600	0.440	2	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	3:4:3:2:	4:4:2:4:	4:4:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5])	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3)	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[3x5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	C[5,5]-4:C[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[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H)	O[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]C[5]C)	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[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	O[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]C[5]C){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	111.6640	22.633	2	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3x5,6]-4:C[3,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[5,6]-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[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	O[5](C[5,5]C[3x5,6]C[3,5]H)(C[5,6]C[5,5,6]C[5,6]C)	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[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	O[5](C[5,5]C[3x5,6]C[3,5]H)(C[5,6]C[5,5,6]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	111.6640	22.633	2	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:H-1:	C[5,5]-4:C[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[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H)	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC)	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[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	111.9160	0.000	1	111.9160	0.000	1	111.9160	0.000	1	111.9160	0.000	1	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:O-2:	C[5,5]-4:C[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[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(OSi)	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	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[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(OSi){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){1|F<1>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	110.5030	0.000	1	109.5300	1.893	2	109.5300	1.893	2	110.3568	2.358	5	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:O-2:	C[5,5]-4:C[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[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(OSi)	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	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[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(OSi){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	108.5570	0.000	1	109.5300	1.893	2	109.5300	1.893	2	110.3568	2.358	5	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,5]-4:C[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[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]FF)(C[3]C[3]HH)(O[5]C[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC)	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[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]FF)(C[3]C[3]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	110.0830	0.000	1	110.0830	0.000	1	110.9080	2.629	3	110.3568	2.358	5	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,5]-4:C[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[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]HH)(C[3]C[3]HO)(O[5]C[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[6a]2O[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[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]HH)(C[3]C[3]HO)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[6a]2O[5]){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	111.3205	2.058	2	111.3205	4.237	2	110.9080	2.629	3	110.3568	2.358	5	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[3,5]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[3,5]-4:C[5,5]-4:C[3]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5])2	C[3,5](C[3,5]C[5,6]C[3]H)(C[5,5]C[5,6]O[5]2)(C[3]C[3,5]HH)(H)	O[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5])2{10|H<1>,2|C<4>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[5,5]C[5,6]O[5]2)(C[3]C[3,5]HH)(H){1|H<1>,5|C<4>}	O[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH){3|H<1>,5|C<4>}	111.0282	5.004	4	111.0282	25.038	4	111.0282	25.038	4	111.0282	25.038	4	110.9575	9.325	15	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6,6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-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[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC)	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[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	107.1170	0.000	1	107.1170	0.000	1	107.7873	0.518	3	107.7873	0.518	3	108.9172	3.864	6	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6,6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-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[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC)	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[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	108.1225	0.602	2	108.1225	0.362	2	107.7873	0.518	3	107.7873	0.518	3	108.9172	3.864	6	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6,6]	O[5]	4:4:2:2:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(O[5]C[5])2	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6])	O[5](C[5,6]C[3,6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6]){1|O<1>,4|C<4>,6|H<1>}	O[5](C[5,6]C[3,6,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	111.3455	0.713	2	111.3455	0.509	2	111.3455	0.509	2	111.3455	0.509	2	108.9172	3.864	6	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6,6]	O[5]	4:4:4:2:	4:4:4:2:	4:3:	C[3,6,6]-4:C[3,6]-4:C[5]-4:O[5]-2:	C[3,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[5,6]-4:S[5]-3:	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])	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[5](C[5,6]C[3,6,6]C[3,6]C[5])(S[5]O[5]O)	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>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|S<3>,2|O<2>,5|C<4>,5|H<1>}	O[5](C[5,6]C[3,6,6]C[3,6]C[5])(S[5]O[5]O){2|H<1>,2|O<2>,4|C<4>}	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	108.9172	3.864	6	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|F<1>,1|H<1>,2|C<4>}	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.2670	2.653	2	109.3374	3.338	7	109.3374	3.338	7	109.3374	3.338	7	109.2383	8.849	21	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.3656	1.801	5	109.3374	3.338	7	109.3374	3.338	7	109.3374	3.338	7	109.2383	8.849	21	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5]	4:2:2:1:	4:4:3:1:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:N[3]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H)	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,5|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<4>}	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|N<3>,2|C<4>,2|H<1>}	111.2007	2.016	4	111.2007	4.063	4	111.2007	4.063	4	111.2007	4.063	4	109.2383	8.849	21	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-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[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H)	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC)	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[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.9635	0.192	2	110.9635	0.037	2	110.9635	0.037	2	108.5574	19.932	7	109.2383	8.849	21	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,5]-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[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5](C[5,6]C[3,6]C[5,6]H)(C[5,5]C[5,5]O[5]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){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O[5](C[5,6]C[3,6]C[5,6]H)(C[5,5]C[5,5]O[5]H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	116.0170	0.000	1	116.0170	0.000	1	116.0170	0.000	1	108.5574	19.932	7	109.2383	8.849	21	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-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[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC)	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[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	108.5574	19.932	7	109.2383	8.849	21	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-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[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH)	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[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	104.4000	0.468	3	104.4000	0.219	3	104.4000	0.219	3	108.5574	19.932	7	109.2383	8.849	21	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6]C[3,6]O[3]H)2(C[5]C[5]HH)(O[5]C[5])	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5](C[5,6]C[3,6]2C[5])(C[5]C[5]HO)	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>}	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[3,6]2C[5])(C[5]C[5]HO){1|N<3>,2|C<4>,2|O<2>,5|H<1>}	107.5790	0.854	2	107.5790	0.730	2	107.5790	0.730	2	107.5790	0.730	2	109.2383	8.849	21	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5]	4:4:4:2:	4:4:2:4:	4:3:	C[3,6,6]-4:C[3,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[5,6]-4:S[5]-3:	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])	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	O[5](C[5,6]C[3,6,6]C[3,6]C[5])(S[5]O[5]O)	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>}	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){1|S<3>,2|C<4>,3|H<1>,3|O<2>}	O[5](C[5,6]C[3,6,6]C[3,6]C[5])(S[5]O[5]O){2|H<1>,2|O<2>,4|C<4>}	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	109.2383	8.849	21	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	3:4:2:1:	4:4:3:1:	4:4:	N[3,5]-3:C[3]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:N[3]-3:H-1:	C[5]-4:C[5]-4:	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H)	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H)	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO)	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H){2|C<3>,3|C<4>}	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO){1|N<3>,2|C<4>,2|H<1>}	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:3:2:2:	4:4:4:1:	4:4:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	112.7925	1.684	2	112.7850	2.544	4	112.7850	2.544	4	112.6869	1.293	7	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:3:2:2:	4:4:4:1:	4:4:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	112.7775	2.190	2	112.7850	2.544	4	112.7850	2.544	4	112.6869	1.293	7	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:3:2:2:	4:4:4:1:	4:4:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH)	C[3](C[5]C[5]O[5]O)(C[3]C[3]CC)(C[3]C[3]CH)(H)	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,6|C<4>}	C[3](C[5]C[5]O[5]O)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|O<1>,2|C<4>}	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	112.5560	0.139	3	112.5560	0.019	3	112.5560	0.019	3	112.6869	1.293	7	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5,5]-4: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[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]H)	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[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]H){2|C<4>,3|H<1>,3|O<2>}	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.7758	0.685	5	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5,6]-4: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[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H)	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[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.7758	0.685	5	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	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[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){2|C<4>,2|H<1>}	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,2|O<2>,4|H<1>}	109.6350	0.000	1	110.4210	1.236	2	110.1340	0.865	3	109.7758	0.685	5	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	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[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){2|C<4>,2|H<1>}	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	111.2070	0.000	1	110.4210	1.236	2	110.1340	0.865	3	109.7758	0.685	5	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4: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[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	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[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.5600	0.000	1	109.5600	0.000	1	110.1340	0.865	3	109.7758	0.685	5	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[3]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(O[5]N[5])(H)	C[3](C[5]C[5,6]O[5]H)(C[3]C[3]HH)2(H)	O[5](C[5]C[5,6]C[3]H)(N[5]C[5,6]S)	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[3](C[5]C[5,6]O[5]H)(C[3]C[3]HH)2(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5]C[5,6]C[3]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[3]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[3](C[3]C[6a]C[3]H)(C[5]C[5]O[5]H)(C[3]C[3]FH)(H)	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	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[3](C[3]C[6a]C[3]H)(C[5]C[5]O[5]H)(C[3]C[3]FH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	110.6408	3.607	6	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H)	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	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[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<4>,1|O<2>,2|H<1>}	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	110.3930	1.789	2	110.3930	3.200	2	110.1987	1.714	3	110.6408	3.607	6	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)2(H)	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){2|C<3>,4|C<4>}	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)2(H){1|C<4>,1|O<2>,2|H<1>}	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.8100	0.000	1	109.8100	0.000	1	110.1987	1.714	3	110.6408	3.607	6	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[3]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4: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[3](C[5]C[5,5]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(H)	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO)	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[3](C[5]C[5,5]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO){2|C<4>,2|O<2>,3|H<1>}	112.5785	0.131	2	112.5785	0.017	2	112.5785	0.017	2	110.6408	3.607	6	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:2:	4:4:2:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC)	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H)	O[5](C[5]C[3]C[5]O)(C[5]C[5]HH)	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>}	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H){2|C<4>,2|H<1>}	O[5](C[5]C[3]C[5]O)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]C)	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>}	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]C){2|C<4>,3|H<1>,3|O<2>}	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6])	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6]){12|H<1>,1|C<3>,2|C<4>}	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2){1|C<3>,6|C<4>,6|H<1>}	108.1605	1.855	2	109.1392	2.444	6	109.1392	2.444	6	109.1392	2.444	6	110.5734	4.774	28	110.1719	7.345	71
474	486	976	0:SP3_SP3_SP3	C[5]	C[3]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6])	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6]){12|H<1>,3|C<4>}	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2){1|C<3>,6|C<4>,6|H<1>}	109.6285	1.403	4	109.1392	2.444	6	109.1392	2.444	6	109.1392	2.444	6	110.5734	4.774	28	110.1719	7.345	71
474	486	976	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	O[5]	4:4:2:1:	4:4:4:3:	4:3:	C[3,5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[3,5,5]C[3,5]2C[6])(C[5]C[5]HH)(O[5]C[5])(H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2)	O[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)	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[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2){1|O<1>,2|C<4>,7|H<1>}	O[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O){2|C<3>,2|C<4>,2|H<1>}	106.7878	0.412	4	106.7878	0.170	4	106.7878	0.170	4	106.7878	0.170	4	106.7878	0.170	4	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5,6,6]	C[3,5,6,6]	O[5]	4:4:4:2:	4:4:4:2:	4:3:	C[3,5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5,5,6]-4:C[3,6]-4:O[3]-2:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3,5,6,6]C[5,5,6]C[3,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[5](C[5,6,6]C[3,5,6,6]C[6,6]C[6])(C[5]C[5,5,6]O)	C[5,6,6](C[3,5,6,6]C[5,5,6]C[3,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,6|H<1>,7|C<4>}	O[5](C[5,6,6]C[3,5,6,6]C[6,6]C[6])(C[5]C[5,5,6]O){1|O<2>,2|H<1>,7|C<4>}	98.7542	0.196	3	98.7542	0.039	3	98.7542	0.039	3	98.7542	0.039	3	98.7542	0.039	3	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	O[5]	4:3:2:4:	4:4:4:1:	4:3:	C[3,5,6]-4:C[6]-3:O[5]-2:C-4:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]O[5]C)(H)	O[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]O[5]C)(H){1|C<3>,1|H<1>,2|O<1>}	O[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O){1|C<4>,2|C<3>,2|H<1>}	105.2480	0.000	1	105.2480	0.000	1	105.2480	0.000	1	105.2480	0.000	1	105.1316	3.610	5	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,5]-4:N[3,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H)	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|S<4>}	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|H<1>,3|O<1>}	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O){1|N<3>,1|O<2>,4|H<1>}	107.6070	0.000	1	107.6070	0.000	1	107.6070	0.000	1	104.7133	6.302	3	105.1316	3.610	5	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,6]-4:N[3,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H)	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]N[3,5]O)	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]N[3,5]O){1|O<2>,2|C<4>,2|H<1>}	103.2665	0.210	2	103.2665	0.044	2	103.2665	0.044	2	104.7133	6.302	3	105.1316	3.610	5	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[3,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]O[6]H)(C[5,6]C[6,6]O[5]H)(H)	O[5](C[5,6]C[3,5,6]C[6,6]H)(C[5]C[3,5]O)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]O[6]H)(C[5,6]C[6,6]O[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5,6]C[3,5,6]C[6,6]H)(C[5]C[3,5]O){1|O<2>,2|C<4>,3|H<1>}	106.2700	0.000	1	106.2700	0.000	1	106.2700	0.000	1	106.2700	0.000	1	105.1316	3.610	5	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5,5]	O[5]	4:2:1:1:	4:3:4:4:	4:3:	C[3,5,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5,5]C[5,6a]C[3,5]2)(O[5]C[5])(H)2	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH)	O[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)	C[5](C[3,5,5]C[5,6a]C[3,5]2)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,5|C<3>}	O[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O){1|C<4>,2|C<3>}	105.2870	0.083	2	105.2870	0.007	2	105.2870	0.007	2	105.2870	0.007	2	105.2870	0.007	2	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5,6]	O[5]	4:3:2:1:	4:4:4:4:	4:3:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	O[5](C[5]C[3,5,6]C[5a]H)(C[5]C[3,5,6]O)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[3,5,6]C[5a]H)(C[5]C[3,5,6]O){2|C<3>,3|C<4>}	105.7630	0.000	1	105.6923	0.004	3	105.6923	0.004	3	105.6923	0.004	3	105.6923	0.004	3	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5,6]	O[5]	4:3:2:1:	4:4:4:4:	4:3:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	O[5](C[5]C[3,5,6]C[5a]H)(C[5]C[3,5,6]O)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[5](C[5]C[3,5,6]C[5a]H)(C[5]C[3,5,6]O){2|C<4>,3|C<3>}	105.6570	0.004	2	105.6923	0.004	3	105.6923	0.004	3	105.6923	0.004	3	105.6923	0.004	3	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:1:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<2>,1|C<4>,1|H<1>}	106.0900	0.000	1	105.9553	0.681	3	105.9766	0.382	5	106.0270	0.213	11	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:1:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	105.0710	0.000	1	105.9553	0.681	3	105.9766	0.382	5	106.0270	0.213	11	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:1:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	106.7050	0.000	1	105.9553	0.681	3	105.9766	0.382	5	106.0270	0.213	11	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:1:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]O[5]HH)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]O[5]HH)(H){1|O<1>}	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	106.2930	0.000	1	106.2930	0.000	1	105.9766	0.382	5	106.0270	0.213	11	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:1:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]O[5]HH)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	105.7240	0.000	1	105.7240	0.000	1	105.9766	0.382	5	106.0270	0.213	11	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:1:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]HH)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<4>,2|H<1>}	105.9958	0.392	4	105.9958	0.154	4	106.0690	0.116	6	106.0270	0.213	11	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:1:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|N<3>}	106.2155	0.234	2	106.2155	0.055	2	106.0690	0.116	6	106.0270	0.213	11	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:3:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3]2N[5])(O[5]C[5])(H)2	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C)	O[5](C[5]C[3,5]HH)(C[5]N[5]O)	C[5](C[3,5]C[3]2N[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	O[5](C[5]C[3,5]HH)(C[5]N[5]O){3|C<4>}	104.8520	0.000	1	104.8520	0.000	1	104.8520	0.000	1	104.8520	0.000	1	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>}	103.9850	0.000	1	103.9850	0.000	1	104.1705	0.030	4	104.1705	0.030	4	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<3>,1|H<1>,1|O<2>}	104.2310	0.000	1	104.1575	0.011	2	104.1705	0.030	4	104.1705	0.030	4	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>}	104.0840	0.000	1	104.1575	0.011	2	104.1705	0.030	4	104.1705	0.030	4	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>}	104.3820	0.000	1	104.3820	0.000	1	104.1705	0.030	4	104.1705	0.030	4	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]O[5]CH)(H)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H){1|C<3>,1|O<1>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]O[5]CH)(H){1|O<1>}	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	106.8700	0.000	1	106.8700	0.000	1	106.8700	0.000	1	106.8700	0.000	1	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:3:2:1:	4:3:4:4:	4:2:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C[3]-4:C[3]-4:	C[5]-4:N[5]-2:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[3,5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(C[3]C[3]HH)2	O[5](C[5]C[3,5]C[6a]H)(N[5]C[5])	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H){3|C<3>,6|H<1>}	C[3,5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(C[3]C[3]HH)2{4|C<3>}	O[5](C[5]C[3,5]C[6a]H)(N[5]C[5]){2|C<4>,3|C<3>}	103.2080	0.000	1	103.2080	0.000	1	103.2080	0.000	1	103.2080	0.000	1	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:3:2:1:	4:4:2:1:	4:3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	104.0710	0.498	4	104.0710	0.248	4	104.0710	0.248	4	104.0110	0.160	6	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:3:2:1:	4:4:2:1:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	103.8910	0.098	2	103.8910	0.010	2	103.8910	0.010	2	104.0110	0.160	6	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:3:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:Br-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(C[3]C[3,5]HH)(Br)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(C[3]C[3,5]HH)(Br){1|O<1>,2|C<3>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|Br<1>,2|C<3>,2|C<4>}	104.4670	0.000	1	104.4670	0.000	1	104.4670	0.000	1	104.5820	0.015	4	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:3:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H){1|O<1>,4|C<3>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,3|C<3>}	104.6203	0.119	3	104.6203	0.014	3	104.6203	0.014	3	104.5820	0.015	4	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:3:3:2:	3:4:4:4:	3:4:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	N[5,6a]-3:C[5]-4:C[3]-4:C[3]-4:	C[5,6a]-3:C[5]-4:	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2	O[5](C[5,6a]C[6a,6a]N[5,6a])(C[5]C[3,5]C[6a]2)	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a]){1|N<2>,5|C<3>,8|H<1>}	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2{6|C<3>}	O[5](C[5,6a]C[6a,6a]N[5,6a])(C[5]C[3,5]C[6a]2){1|N<2>,2|C<4>,6|C<3>}	101.5430	0.000	1	101.5430	0.000	1	101.5430	0.000	1	101.5430	0.000	1	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:3:3:2:	4:4:4:3:	4:3:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[3]-4:C[3]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[3,5](C[5]C[6a]2O[5])(C[3]C[3]HH)2(C[5]C[5]C)	O[5](C[5]C[3,5]C[6a]2)(C[5]C[5]C)	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|C<3>,8|H<1>}	C[3,5](C[5]C[6a]2O[5])(C[3]C[3]HH)2(C[5]C[5]C){1|C<4>,4|C<3>}	O[5](C[5]C[3,5]C[6a]2)(C[5]C[5]C){2|C<4>,5|C<3>}	101.9920	0.000	1	101.9920	0.000	1	101.9920	0.000	1	101.9920	0.000	1	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP2_SP3	C[5]	C[3,5]	O[5]	4:4:2:1:	3:3:4:1:	4:3:	C[3,5]-4:C-4:O[5]-2:H-1:	N[3,5]-3:C[3]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H)	O[5](C[5]C[3,5]CH)(C[5]N[3,5]O)	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H){1|O<1>}	O[5](C[5]C[3,5]CH)(C[5]N[3,5]O){1|C<3>,1|H<1>}	103.6580	0.000	1	103.6580	0.000	1	103.6580	0.000	1	103.6580	0.000	1	104.7579	1.723	31	104.6712	4.146	48
474	486	976	5:SP3_SP3_SP3	C[3x5,6]	C[3,5,6]	O[5,5]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[3x5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:	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)	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H)	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>}	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H){1|Br<1>,1|C<4>,2|O<2>,6|H<1>}	102.1580	0.000	1	102.1580	0.000	1	102.1950	0.003	2	102.1950	0.003	2	102.1950	0.003	2	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[3x5,6]	C[3,5,6]	O[5,5]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[3x5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:	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)	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H)	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>}	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	102.2320	0.000	1	102.2320	0.000	1	102.1950	0.003	2	102.1950	0.003	2	102.1950	0.003	2	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6,6]	C[3,5,6]	O[5,5]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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)	C[3,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]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){1|C<4>,6|H<1>}	C[3,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|O<2>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]H){2|C<4>,2|O<2>,6|H<1>}	102.2985	0.156	2	102.2985	0.024	2	102.2985	0.024	2	102.2985	0.024	2	102.2985	0.024	2	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,3x5,6]	O[5,5]	4:3:2:3:	4:4:4:4:	4:4:	C[3,3x5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[3,3x5,6]-4:C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,3x5,6](C[3,3x5,6]C[3,5,5,6]2C[5,5,6])(C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5,6]C[5,6,6a]O[5,5]C[6a])	O[5,5](C[5,5,6]C[3,3x5,6]C[5,6,6a]C[6a])2	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|C<4>,5|C<3>,5|H<1>}	C[3,3x5,6](C[3,3x5,6]C[3,5,5,6]2C[5,5,6])(C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5,6]C[5,6,6a]O[5,5]C[6a]){1|C<4>,4|H<1>,5|C<3>}	O[5,5](C[5,5,6]C[3,3x5,6]C[5,6,6a]C[6a])2{4|C<4>,6|C<3>}	99.0562	0.411	2	99.0562	0.169	2	99.0562	0.169	2	99.0562	0.169	2	99.0562	0.169	2	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:1:	4:4:3:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C)(H){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2{2|H<1>,3|C<3>}	102.3465	0.243	2	102.3465	0.059	2	102.3465	0.059	2	102.0430	0.143	4	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:1:	4:4:3:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2{1|N<3>,2|C<3>,2|H<1>}	101.7395	0.030	2	101.7395	0.001	2	101.7395	0.001	2	102.0430	0.143	4	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:1:	4:4:4:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H){1|C<4>,2|C<3>,2|H<1>}	102.1390	0.000	1	102.1390	0.000	1	102.1390	0.000	1	102.1390	0.000	1	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:3:	4:4:4:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	99.3246	0.000	1	99.3246	0.000	1	99.6358	0.194	2	100.2269	0.392	5	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:3:	4:4:4:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<2>,5|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	99.9470	0.000	1	99.9470	0.000	1	99.6358	0.194	2	100.2269	0.392	5	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:3:	4:4:4:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]C)(C[3]C[3,5,6]HS)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]C)(C[3]C[3,5,6]HS)(H){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|H<1>,2|C<4>,6|C<3>}	100.4960	0.000	1	100.4960	0.000	1	100.6210	0.106	3	100.2269	0.392	5	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:3:	4:4:4:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HO)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HO)(H){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	100.9900	0.000	1	100.9900	0.000	1	100.6210	0.106	3	100.2269	0.392	5	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:3:	4:4:4:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HS)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|S<2>,4|H<1>,5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HS)(H){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	100.3770	0.000	1	100.3770	0.000	1	100.6210	0.106	3	100.2269	0.392	5	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:3:	4:4:4:4:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(CCHH)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<4>,5|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(CCHH){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|H<1>,2|C<4>,6|C<3>}	102.4650	0.000	1	102.4650	0.000	1	102.4650	0.000	1	102.4650	0.000	1	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	3:4:2:4:	4:4:4:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<3>,4|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H){1|C<4>,2|C<3>,2|H<1>}	101.3610	0.000	1	101.3610	0.000	1	101.3610	0.000	1	101.3610	0.000	1	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:2:2:4:	4:4:3:3:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CC[6a]O)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<3>,2|C<4>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CC[6a]O){1|C<2>,1|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<4>,2|C<3>}	100.1760	0.000	1	100.1760	0.000	1	100.1760	0.000	1	100.1760	0.000	1	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:2:2:4:	4:4:3:4:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CF3)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<4>,2|C<3>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CF3){1|C<2>,1|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<4>,2|C<3>}	99.6961	0.000	1	99.6961	0.000	1	99.6961	0.000	1	99.6961	0.000	1	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:2:3:1:	4:4:4:4:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]H)(C[3]C[3,5,6]CH)(CF3)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]H)(C[3]C[3,5,6]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H){1|C<3>,2|C<4>,2|H<1>}	100.9610	0.597	2	100.9610	0.356	2	100.9610	0.356	2	100.9610	0.356	2	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:2:3:2:	4:4:4:4:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]O)(C[3]C[3,5,6]CH)(CF3)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]O)(C[3]C[3,5,6]CH)(CF3){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O){1|C<3>,1|H<1>,3|C<4>}	100.9605	0.155	2	100.9605	0.024	2	100.9605	0.024	2	100.9605	0.024	2	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:2:3:3:	4:4:4:3:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(COO)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(COO){1|C<3>,1|C<4>,1|O<2>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O){1|C<3>,1|H<1>,3|C<4>}	101.2390	0.117	2	101.2390	0.014	2	101.2390	0.014	2	101.2390	0.014	2	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:2:3:4:	4:4:4:3:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CCO)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<3>,2|C<4>,2|H<1>}	100.2925	0.136	2	100.2925	0.019	2	100.0556	0.083	4	100.0556	0.083	4	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:2:3:4:	4:4:4:3:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CC[6a]O)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CC[6a]O){1|C<3>,2|H<1>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H){1|C<3>,2|C<4>,2|H<1>}	99.8188	0.078	2	99.8188	0.006	2	100.0556	0.083	4	100.0556	0.083	4	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:2:3:4:	4:4:4:4:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CF3)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<3>,2|C<4>,2|H<1>}	100.0155	0.057	2	100.0155	0.003	2	100.0155	0.003	2	100.0155	0.003	2	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3x5,6]-4: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[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H)	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[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H){1|Br<1>,1|C<4>,2|O<2>,6|H<1>}	102.2180	0.000	1	102.0650	0.047	2	102.0650	0.047	2	102.4020	0.184	4	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3x5,6]-4: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[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H)	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[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	101.9120	0.000	1	102.0650	0.047	2	102.0650	0.047	2	102.4020	0.184	4	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[5,5,6,6]-4: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[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]H)	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[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]H){2|C<4>,2|O<2>,6|H<1>}	102.7390	0.228	2	102.7390	0.052	2	102.7390	0.052	2	102.4020	0.184	4	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O[5,5]	4:4:2:1:	4:4:4:1:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4: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[3,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CC)(H)	O[5,5](C[5,5,6]C[3,5,6]C[5,5,6]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)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CC)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2{1|C<4>,2|C<3>,4|H<1>}	104.3000	0.115	2	104.3000	0.013	2	104.3000	0.013	2	104.3000	0.013	2	101.2477	1.607	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,5]	C[3,5,5]	O[5]	4:3:2:4:	4:4:4:3:	4:4:	C[3,5,5]-4:N[5]-3:O[5]-2:C-4:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3)	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3){2|C<3>,6|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2){1|S<4>,2|C<3>,6|H<1>}	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	105.6900	0.000	1	105.6900	0.000	1	105.6900	0.000	1	105.6900	0.000	1	105.6900	0.000	1	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6,6]	C[3,5,6]	O[5,6]	4:2:4:2:	4:4:4:2:	4:4:	C[3,5,6]-4:O[5,6]-2:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6])	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6])	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6]){1|O<1>,3|H<1>,5|C<4>}	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	104.6540	0.000	1	104.6540	0.000	1	104.6540	0.000	1	104.6540	0.000	1	104.6540	0.000	1	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O[5]	4:4:2:1:	4:4:4:3:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.2620	0.000	1	105.2620	0.000	1	105.2620	0.000	1	105.2620	0.000	1	103.8990	1.786	3	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O[5]	4:4:2:2:	4:4:2:3:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[3,6]-4:C[5,6]-4:O[3]-2:C[5]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|C<4>,4|H<1>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C){1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	102.5910	0.000	1	102.5910	0.000	1	102.5910	0.000	1	102.5910	0.000	1	103.8990	1.786	3	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O[5]	4:4:2:2:	4:4:4:2:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5])	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC){2|H<1>,2|O<2>,4|C<4>}	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO){1|O<2>,2|H<1>,3|C<4>}	103.8440	0.000	1	103.8440	0.000	1	103.8440	0.000	1	103.8440	0.000	1	103.8990	1.786	3	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6]	C[3,5]	O[5,6]	4:2:3:1:	4:4:4:2:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H)	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	101.5680	0.197	2	101.5680	0.039	2	101.5680	0.039	2	101.5680	0.039	2	103.0011	0.896	15	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6]	C[3,5]	O[5,6]	4:2:3:4:	4:4:2:1:	4:4:	C[3,5]-4:O[5,6]-2:N[6]-3:C-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H)	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H){1|C<3>,1|C<4>,2|O<2>}	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	103.6760	0.000	1	103.6760	0.000	1	103.6760	0.000	1	103.6760	0.000	1	103.0011	0.896	15	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6]	C[3,5]	O[5,6]	4:2:4:1:	4:4:2:1:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	O[5,6](C[5,6]C[3,5]C[6]H)2	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[3,5]C[6]H)2{1|F<1>,2|O<2>,5|H<1>}	103.7870	0.293	5	103.7870	0.086	5	103.4561	0.224	10	103.4561	0.224	10	103.0011	0.896	15	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6]	C[3,5]	O[5,6]	4:2:4:1:	4:4:2:1:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	O[5,6](C[5,6]C[3,5]C[6]H)2	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[3,5]C[6]H)2{1|F<1>,2|O<2>,5|H<1>}	103.1252	0.381	5	103.1252	0.145	5	103.4561	0.224	10	103.4561	0.224	10	103.0011	0.896	15	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6]	C[3,5]	O[5,6]	4:2:4:2:	4:4:2:1:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-4:O-2:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H)	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H){1|C<3>,1|N<3>,3|C<4>}	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	102.5540	0.000	1	102.5540	0.000	1	102.5540	0.000	1	102.5540	0.000	1	103.0011	0.896	15	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5,6]	C[3,5]	O[5,6]	4:4:2:4:	4:4:4:2:	4:4:	C[3,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:C[5]-4:C[3]-4:O[3]-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3)	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3])	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C)	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3){4|C<4>,6|H<1>}	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3]){2|O<2>,3|C<4>}	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C){2|C<4>,3|O<2>,4|H<1>}	101.0890	0.000	1	101.0890	0.000	1	101.0890	0.000	1	101.0890	0.000	1	103.0011	0.896	15	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	3:4:2:1:	4:4:2:1:	4:4:	C[6a]-3:C[3,5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){2|C<3>,2|H<1>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	104.7670	0.648	2	104.7670	0.420	2	104.7670	0.420	2	104.7670	0.420	2	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:3:4:1:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H)	O[5](C[5]C[3,5]HH)2	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2{1|S<4>,3|H<1>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H){2|H<1>}	O[5](C[5]C[3,5]HH)2{1|N<3>,2|H<1>}	105.6015	0.274	2	105.6015	0.075	2	105.6015	0.075	2	105.6015	0.075	2	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:2:4:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3){1|C<3>,1|H<1>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.1575	0.474	2	106.1575	0.225	2	106.1575	0.225	2	106.1575	0.225	2	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:3:4:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO)	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO){1|C<3>,1|C<4>,1|H<1>}	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:1:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]HH)(H)	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	106.1470	0.000	1	106.1470	0.000	1	106.1470	0.000	1	105.7140	0.375	2	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:1:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	B[5]-4:C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(O[5]B[5])(H)2	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H)	O[5](B[5]N[3,5]CC)(C[5]C[3,5]HH)	C[5](C[3,5]N[3,5]C[3]H)(O[5]B[5])(H)2{1|C<4>,2|C<2>,2|H<1>}	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H){2|C<2>}	O[5](B[5]N[3,5]CC)(C[5]C[3,5]HH){1|H<1>,2|C<4>}	105.2810	0.000	1	105.2810	0.000	1	105.2810	0.000	1	105.7140	0.375	2	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:1:1:	4:4:4:2:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3])	O[5](C[5]C[3,5]HH)(C[5]C[5]HH)	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3]){2|H<1>,4|C<3>}	O[5](C[5]C[3,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>}	104.4980	0.000	1	104.4980	0.000	1	104.4980	0.000	1	104.4980	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:2:1:	4:2:4:4:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO)	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H){1|O<2>,2|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3){1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO){1|O<2>,2|H<1>,3|C<4>}	106.6710	0.000	1	106.6710	0.000	1	106.6710	0.000	1	106.6710	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:2:1:	4:3:4:1:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H)	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO)	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO){1|N<3>,2|C<4>,2|H<1>}	104.0560	0.000	1	104.0560	0.000	1	104.0560	0.000	1	104.0560	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[3,5]-4:O[5]-2:S-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS){1|O<2>,2|H<1>}	104.8890	0.000	1	104.8890	0.000	1	104.8280	0.007	2	104.8280	0.007	2	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[3,5]-4:O[5]-2:S-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS){1|C<4>,2|O<2>,3|H<1>}	104.7670	0.000	1	104.7670	0.000	1	104.8280	0.007	2	104.8280	0.007	2	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]O[5]HO)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>}	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO){1|C<3>,1|C<4>,1|H<1>}	105.3570	0.000	1	105.3570	0.000	1	105.3570	0.000	1	105.3570	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H){1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	105.2033	0.513	3	105.2033	0.263	3	104.6018	1.155	5	104.6018	1.155	5	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|O<2>,2|C<3>,2|H<1>}	102.8690	0.000	1	102.8690	0.000	1	104.6018	1.155	5	104.6018	1.155	5	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H){1|S<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|S<2>}	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS){1|O<2>,2|H<1>}	104.5300	0.000	1	104.5300	0.000	1	104.6018	1.155	5	104.6018	1.155	5	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H)	C[3,5](C[3,5]C[3]C[5]F)(C[3]C[3,5]HH)(C[5]O[5]CH)(CHHO)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]F)(C[3]C[3,5]HH)(C[5]O[5]CH)(CHHO){1|H<1>,1|N<3>}	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|F<1>,2|C<3>,2|C<4>}	105.2250	0.000	1	105.2250	0.000	1	105.2250	0.000	1	105.2250	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:4:2:	4:4:2:3:	4:4:	C[3,5]-4:O[5]-2:C-4:O-2:	C[3,5]-4:C[5]-4:O[3]-2:C-3:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO)	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO){1|O<2>,2|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO){1|O<2>,3|C<3>}	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO){1|O<2>,4|C<3>}	104.0730	0.000	1	104.0730	0.000	1	104.0730	0.000	1	104.0730	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:2:4:4:	4:4:4:1:	4:4:	C[3,5]-4:O[5]-2:C-4:C-4:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]O[5]CC)(H)	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	103.6230	0.000	1	103.6230	0.000	1	103.6230	0.000	1	103.6230	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:3:2:1:	4:4:2:1:	4:4:	C[3,5]-4:N[5a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	105.6703	0.295	3	105.6703	0.087	3	105.6703	0.087	3	105.6805	0.058	4	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:3:2:1:	4:4:2:1:	4:4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|O<2>,2|C<3>,2|H<1>}	105.7110	0.000	1	105.7110	0.000	1	105.7110	0.000	1	105.6805	0.058	4	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:3:2:1:	4:4:4:1:	4:4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]O[5]H)(C[3]C[3,5]CH)(H)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]O[5]H)(C[3]C[3,5]CH)(H){1|C<4>,3|C<3>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	104.9220	0.000	1	104.9220	0.000	1	104.9220	0.000	1	104.2965	0.783	2	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:3:2:1:	4:4:4:1:	4:4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:F-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]N[6a]O[5]H)(C[3]C[3,5]HH)(F)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]N[6a]O[5]H)(C[3]C[3,5]HH)(F){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|F<1>,2|C<3>,2|C<4>}	103.6710	0.000	1	103.6710	0.000	1	103.6710	0.000	1	104.2965	0.783	2	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:3:2:2:	4:4:3:2:	4:4:	C[3,5]-4:C[6a]-3:O[5]-2:O-2:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5])	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO){1|O<2>,4|C<3>}	104.4540	0.000	1	104.4540	0.000	1	104.4540	0.000	1	104.4540	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4: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[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H)	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS)	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[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS){1|C<4>,2|O<2>,3|H<1>}	103.8540	0.000	1	103.8540	0.000	1	103.8540	0.000	1	103.8540	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	5:SP3_SP3_SP3	C[5]	C[3,5]	O[5]	4:4:2:3:	4:4:4:1:	4:4:	C[3,5]-4:C-4:O[5]-2:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]CC)(H)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC)	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]CC)(H){1|C<3>,1|H<1>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	105.3250	0.000	1	105.3250	0.000	1	105.3250	0.000	1	105.3250	0.000	1	105.0553	0.799	32	103.0650	4.154	90
474	486	976	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	O[5,6]	4:4:2:1:	4:4:4:1:	4:3:	C[3,5,5,6]-4:C[4x5]-4:O[5,6]-2:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-3:	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[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]C)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]O[5,6]H)(H)	O[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]O)	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[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]C)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]O[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	O[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]O){2|H<1>,4|C<4>}	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1
474	486	976	6:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5,6]	4:2:2:1:	4:4:2:1:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|F<1>,1|H<1>,2|C<4>}	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	110.0675	1.224	2	110.0426	0.415	7	110.0426	0.415	7	110.0426	0.415	7	109.5453	0.706	23	109.5453	0.706	23
474	486	976	6:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5,6]	4:2:2:1:	4:4:2:1:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	110.0326	0.497	5	110.0426	0.415	7	110.0426	0.415	7	110.0426	0.415	7	109.5453	0.706	23	109.5453	0.706	23
474	486	976	6:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5,6]	4:2:2:1:	4:4:3:1:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:N[3]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H)	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,5|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<4>}	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|N<3>,4|H<1>}	109.7040	0.663	4	109.7040	0.440	4	109.7040	0.440	4	109.7040	0.440	4	109.5453	0.706	23	109.5453	0.706	23
474	486	976	6:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5,6]	4:2:4:1:	4:4:2:1:	4:4:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4: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[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	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[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	108.6510	0.000	1	109.3807	0.502	10	109.3807	0.502	10	109.3807	0.502	10	109.5453	0.706	23	109.5453	0.706	23
474	486	976	6:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5,6]	4:2:4:1:	4:4:2:1:	4:4:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4: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[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	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[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	109.4618	0.701	9	109.3807	0.502	10	109.3807	0.502	10	109.3807	0.502	10	109.5453	0.706	23	109.5453	0.706	23
474	486	976	6:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5,6]	4:2:4:4:	4:4:2:1:	4:4:	C[3,6]-4:O[5,6]-2:C[5]-4:C-4:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,6]-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)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H)	O[5,6](C[5,6]C[3,6]C[5]C)(C[5,6]C[5,6]C[5]C)	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>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H){1|O<2>,3|H<1>,5|C<4>}	O[5,6](C[5,6]C[3,6]C[5]C)(C[5,6]C[5,6]C[5]C){1|O<2>,2|C<4>,6|H<1>}	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	109.5453	0.706	23	109.5453	0.706	23
474	486	976	6:SP3_SP3_SP3	C[5,6]	C[3,6]	O[5,6]	4:4:2:3:	3:4:4:4:	4:4:	C[3,6]-4:C[5]-4:O[5,6]-2:C-3:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[5,6]-4:C[5,6]-4:	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)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C)	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>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<4>,2|H<1>,5|C<3>}	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C){2|C<4>,3|C<3>,3|H<1>}	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	109.5453	0.706	23	109.5453	0.706	23
474	486	983	0:SP3_SP1_SP3	C[5]	C[3,5]	C	4:4:2:2:	4:4:4:4:	4:2:	C[3,5]-4:C[5]-4:C-2:O-2:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C-2:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CO)(CHHO)	C(C[5]C[3,5]C[5]O)(CH)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH){1|N<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CO)(CHHO){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[3,5]C[5]O)(CH)	112.1040	0.495	2	112.1040	0.245	2	112.1040	0.245	2	112.1040	0.245	2	112.1040	0.245	2	112.1040	0.245	2
474	486	992	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	P	4:3:4:1:	9:3:4:1:	4:4:4:4:	C[3,5,6]-4:C[5,6]-3:P-4:H-1:	I[8x3,5]-9:C[3,3,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H)	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H)	P(C[5,6]C[3,5,6]C[5,6]H)(CH3)3	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H){1|H<1>,6|C<4>}	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H){1|O<1>,2|H<1>,5|C<4>}	P(C[5,6]C[3,5,6]C[5,6]H)(CH3)3	116.2500	0.000	1	116.2500	0.000	1	116.2500	0.000	1	116.2500	0.000	1	116.2500	0.000	1	116.2500	0.000	1
474	486	999	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5]	4:3:4:3:	4:4:4:3:	4:4:4:1:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,5|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	103.6220	0.000	1	103.6220	0.000	1	103.6220	0.000	1	103.6220	0.000	1	103.6220	0.000	1	103.7604	0.657	12
474	486	999	5:SP3_SP3_SP3	C[5,6]	C[3,5]	N[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[3,5]-4:N[5,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H)	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3)	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H){3|H<1>,4|C<4>}	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3){1|C<4>,1|O<2>,6|H<1>}	103.5763	0.407	6	103.5763	0.165	6	103.5763	0.165	6	103.5763	0.165	6	103.5763	0.165	6	103.7604	0.657	12
474	486	999	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:4:1:1:	4:4:3:4:	4:4:1:1:	C[3,5]-4:N[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	N[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|C<3>,6|H<1>}	N[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	104.9330	0.000	1	104.9330	0.000	1	104.9330	0.000	1	104.9330	0.000	1	104.0090	1.466	5	103.7604	0.657	12
474	486	999	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:4:1:1:	4:4:3:4:	4:4:4:1:	C[3,5]-4:N[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2{1|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	105.3310	0.000	1	105.3310	0.000	1	105.3310	0.000	1	105.3310	0.000	1	104.0090	1.466	5	103.7604	0.657	12
474	486	999	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[3,5]-4:N[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){2|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	103.4930	0.000	1	103.4930	0.000	1	103.4930	0.000	1	103.4930	0.000	1	104.0090	1.466	5	103.7604	0.657	12
474	486	999	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[3,5]-4:N[5]-4:C-4:O-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]CO)(H)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]CO)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	104.0100	0.000	1	104.0100	0.000	1	104.0100	0.000	1	104.0100	0.000	1	104.0090	1.466	5	103.7604	0.657	12
474	486	999	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:4:4:4:	4:4:3:4:	4:4:1:1:	C[3,5]-4:N[5]-4:C-4:C-4:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	102.2780	0.000	1	102.2780	0.000	1	102.2780	0.000	1	102.2780	0.000	1	104.0090	1.466	5	103.7604	0.657	12
474	490	490	0:SP3_SP3_SP3	C[5,5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,5,6]-4:C[3x5,6]-4:C-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:H-1:H-1: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	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	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>}	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	108.7120	0.000	1	108.7120	0.000	1	108.7120	0.000	1	108.7120	0.000	1	108.7120	0.000	1	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-3:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	105.7180	0.000	1	105.7180	0.000	1	105.7180	0.000	1	105.7180	0.000	1	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5,5]-4:C[3x5]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[3,5,5]C[3,5,5]2C[6a])(C[3x5]C[5,5]2H)(CH3)2	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	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>}	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	107.6970	0.000	1	106.8940	1.290	2	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	106.0910	0.000	1	106.8940	1.290	2	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	107.2640	0.000	1	106.5900	0.909	2	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	105.9160	0.000	1	106.5900	0.909	2	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	106.5885	0.933	2	106.5885	0.870	2	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	107.1760	0.000	1	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	106.5050	0.000	1	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	106.6460	0.000	1	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	108.3550	0.000	1	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	105.6940	0.429	2	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	106.6830	1.281	2	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	106.7296	0.575	70	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	108.2930	0.000	1	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	106.6740	0.000	1	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	106.6290	0.000	1	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	105.1770	0.000	1	106.7229	0.427	82	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	106.7807	0.695	6	106.7807	0.483	6	106.7245	0.432	94	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	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>}	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	107.2060	0.000	1	107.2060	0.000	1	107.0810	0.031	2	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(CH3)2	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	C[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(CH3)2{1|O<1>,1|S<2>,3|C<4>,3|H<1>}	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	106.9560	0.000	1	106.9560	0.000	1	107.0810	0.031	2	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:Br-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CBrHH)(CH3)	C(C[5,5]C[5,5,6]2C)(Br)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(Br)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	106.6380	0.000	1	106.6380	0.000	1	106.6380	0.000	1	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:Cl-1:H-1:H-1:	C[5,5]-4:Cl-1:Cl-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH)	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	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>}	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	109.6110	0.030	2	109.2180	0.464	3	109.2180	0.464	3	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:Cl-1:H-1:H-1:	C[5,5]-4:Cl-1:Cl-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH)	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	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>}	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	108.4320	0.000	1	109.2180	0.464	3	109.2180	0.464	3	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.0890	0.000	1	106.0890	0.000	1	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	105.3990	0.031	2	105.3990	0.001	2	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.4205	0.035	4	106.5465	1.820	13	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	105.6426	0.411	8	106.5465	1.820	13	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.2820	0.000	1	106.5465	1.820	13	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.9590	0.000	1	107.0295	0.010	2	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.1000	0.000	1	107.0295	0.010	2	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.7090	0.600	3	107.0282	0.757	6	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.3473	0.377	3	107.0282	0.757	6	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.7516	0.901	12	107.7516	0.812	12	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	104.9130	0.000	1	107.2617	0.601	39	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.4999	0.442	34	107.2617	0.601	39	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	105.3480	0.000	1	107.2617	0.601	39	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	105.9905	0.619	2	107.2617	0.601	39	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	105.9690	0.000	1	107.2617	0.601	39	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.3040	0.000	1	108.1470	0.124	6	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1: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	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.1156	0.384	5	108.1470	0.124	6	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.1927	0.369	14	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	109.1730	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.2320	0.484	2	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.7027	0.461	3	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.3655	0.483	2	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.6549	1.445	10	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.2603	0.497	14	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.1540	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	105.9580	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.5680	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.2028	1.185	6	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	109.3273	0.492	3	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.8340	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.8555	0.951	16	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.1065	0.868	2	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	109.3017	1.197	4	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.5810	0.482	3	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.6820	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.0670	0.279	3	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.7463	0.696	8	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.1970	0.868	4	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.5146	1.564	93	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.8755	1.412	2	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.3525	0.776	2	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.0090	0.492	3	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.9148	0.608	21	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.0870	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	107.6420	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	106.0020	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.8833	1.638	3	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	105.7960	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.0680	0.000	1	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	109.0445	2.467	2	107.7552	2.299	231	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2N)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.0020	0.445	2	108.0020	0.198	2	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]3)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	108.1880	0.000	1	108.1880	0.000	1	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(CH3)2{1|O<1>,4|H<1>}	C(C[5,5]C[5,5,6]2C)(H)3	C(C[5,5]C[5,5,6]2C)(H)3	109.2691	0.596	82	109.2691	0.355	82	107.9573	2.109	397	107.7254	2.013	498	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	108.7770	0.328	4	108.6373	0.205	7	108.9158	0.482	9	108.9158	0.482	9	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	108.4510	0.601	3	108.6373	0.205	7	108.9158	0.482	9	108.9158	0.482	9	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:H-1:H-1:H-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]C)(CHHO)(CH3)	C(C[5,5]C[5,5,6]2C)(OC)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]C)(CHHO)(CH3){1|C<3>,2|C<4>}	C(C[5,5]C[5,5,6]2C)(OC)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	109.8905	0.425	2	109.8905	0.181	2	108.9158	0.482	9	108.9158	0.482	9	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)2(CC[6a]HH)(CH3)	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(CC[6a]HH)(CH3){1|N<3>,2|C<4>,3|H<1>}	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	107.8324	0.330	8	107.8324	0.109	8	107.8324	0.109	8	107.8324	0.109	8	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:S-4:H-1:H-1:	C[5,5]-4:H-1:H-1: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)(CHHS)(CH3)	C(C[5,5]C[5,5,6]2C)(SC[6a]OO)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(SC[6a]OO)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	107.9060	0.000	1	107.9060	0.000	1	109.0627	1.656	3	109.0627	1.656	3	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5]-4:S-4:H-1:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3)	C(C[5,5]C[5,5,6]2C)(SO3)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	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>}	C(C[5,5]C[5,5,6]2C)(SO3)(H)2	C(C[5,5]C[5,5,6]2C)(H)3	109.6410	1.143	2	109.6410	1.306	2	109.0627	1.656	3	109.0627	1.656	3	107.7516	1.989	519	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:F-1:F-1:F-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2	C(C[5,6]C[5,5,6]O[5,6]C)(F)3	C(C[5,6]C[5,5,6]O[5,6]C)(F)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2{1|H<1>,3|C<3>,3|O<2>}	C(C[5,6]C[5,5,6]O[5,6]C)(F)3	C(C[5,6]C[5,5,6]O[5,6]C)(F)3	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	109.9398	8.084	4	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,6]C[5,5,6])(CH3)2	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	105.9550	0.000	1	105.9550	0.000	1	109.2180	21.294	2	109.9398	8.084	4	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,3x6])(CH3)2	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	112.4810	0.000	1	112.4810	0.000	1	109.2180	21.294	2	109.9398	8.084	4	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:S[5,6]-2:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]S[5,6]C)(H)3	C(C[5,6]C[5,5,6]S[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]S[5,6]C)(H)3	C(C[5,6]C[5,5,6]S[5,6]C)(H)3	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	109.9398	8.084	4	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:H-1:H-1: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)	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	107.1045	0.231	2	107.1045	0.053	2	108.3113	4.396	3	108.3113	4.396	3	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:H-1:H-1: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)	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	110.7250	0.000	1	110.7250	0.000	1	108.3113	4.396	3	108.3113	4.396	3	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	108.2187	0.198	3	108.2187	0.039	3	108.2087	0.994	8	108.2087	0.994	8	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	107.0880	0.000	1	107.0880	0.000	1	108.2087	0.994	8	108.2087	0.994	8	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	108.8770	0.000	1	108.6655	0.089	2	108.2087	0.994	8	108.2087	0.994	8	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	108.4540	0.000	1	108.6655	0.089	2	108.2087	0.994	8	108.2087	0.994	8	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2{2|Br<1>,1|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	106.7010	0.000	1	106.7010	0.000	1	108.2087	0.994	8	108.2087	0.994	8	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]O)(CH3)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]O)(CH3)2{1|C<4>,1|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	109.8940	0.000	1	109.8940	0.000	1	108.2087	0.994	8	108.2087	0.994	8	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	109.7283	1.918	3	109.7283	3.679	3	109.7283	3.679	3	109.7283	3.679	3	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	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	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)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>}	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)3	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	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	C(C[5,6]C[5,5,6]2C)(H)3	C(C[5,6]C[5,5,6]2C)(H)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>}	C(C[5,6]C[5,5,6]2C)(H)3	C(C[5,6]C[5,5,6]2C)(H)3	109.0950	0.000	1	109.0950	0.000	1	107.5045	6.399	6	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]2C)(H)3	C(C[5,6]C[5,5,6]2C)(H)3	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>}	C(C[5,6]C[5,5,6]2C)(H)3	C(C[5,6]C[5,5,6]2C)(H)3	107.8023	2.669	4	107.8023	7.124	4	107.5045	6.399	6	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]2C)(H)3	C(C[5,6]C[5,5,6]2C)(H)3	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>}	C(C[5,6]C[5,5,6]2C)(H)3	C(C[5,6]C[5,5,6]2C)(H)3	104.7230	0.000	1	104.7230	0.000	1	107.5045	6.399	6	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	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	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)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>}	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	107.3760	0.071	2	107.3760	0.005	2	107.3760	0.005	2	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	106.4950	0.000	1	106.4950	0.000	1	107.0122	1.466	37	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	106.1420	0.000	1	106.1420	0.000	1	107.0122	1.466	37	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	107.8150	1.247	2	107.8150	1.556	2	107.0122	1.466	37	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	106.5764	1.118	22	106.5764	1.249	22	107.0122	1.466	37	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	107.6596	0.972	7	107.6596	0.944	7	107.0122	1.466	37	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	107.6510	0.000	1	107.6510	0.000	1	107.0122	1.466	37	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	108.1400	0.000	1	107.6835	0.417	2	107.0122	1.466	37	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	107.2270	0.000	1	107.6835	0.417	2	107.0122	1.466	37	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-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)(CH3)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	109.8690	0.000	1	109.8690	0.000	1	107.0122	1.466	37	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	107.1020	0.000	1	107.1020	0.000	1	106.8798	0.748	4	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	107.3770	0.468	2	107.3770	0.219	2	106.8798	0.748	4	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	105.6630	0.000	1	105.6630	0.000	1	106.8798	0.748	4	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	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	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	104.5618	0.249	4	104.5618	0.062	4	105.4314	1.523	7	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	106.0465	0.334	2	106.0465	0.112	2	105.4314	1.523	7	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1: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	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	107.6800	0.000	1	107.6800	0.000	1	105.4314	1.523	7	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2{2|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	105.6600	0.000	1	105.6600	0.000	1	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	106.1950	0.000	1	107.1148	2.103	8	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	105.6650	0.000	1	107.1148	2.103	8	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	106.0820	0.000	1	107.1148	2.103	8	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	108.8460	0.187	3	107.1148	2.103	8	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	106.0750	0.000	1	107.1148	2.103	8	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	106.3630	0.000	1	107.1148	2.103	8	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	108.2805	0.312	2	108.1471	1.169	14	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	108.1952	1.281	10	108.1471	1.169	14	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	107.7735	0.019	2	108.1471	1.169	14	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]N[5a,6]C[5]C)(C[5,6]C[5]C[6]H)(CH3)2	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	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>}	C(C[5,6]C[5,6]2C)(H)3	C(C[5,6]C[5,6]2C)(H)3	108.1710	0.267	2	108.1710	0.071	2	107.7192	1.672	25	107.1593	2.118	82	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[3x5,6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:O-2:H-1:H-1:	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	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	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>}	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:H-1:H-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)(CCHH)(CH3)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)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>}	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	110.9800	0.383	2	110.9800	0.147	2	110.9800	0.147	2	113.0310	6.571	5	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:N-4:H-1:H-1:	C[5,6]-4:H-1:H-1: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)	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	113.5300	0.000	1	113.5300	0.000	1	113.5300	0.000	1	113.0310	6.571	5	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:H-1:H-1: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)	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	114.8325	3.314	2	114.8325	10.984	2	114.8325	10.984	2	113.0310	6.571	5	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:O-2:H-1: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)	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	C(C[5,6]C[5,5,6]2C)(OH)(H)2	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>}	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	C(C[5,6]C[5,5,6]2C)(OH)(H)2	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5,6]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	P[3x5,6]-5:O[5,6]-2:C-4:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:F-1:F-1:F-1:	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2{1|C<3>,3|C<4>}	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	110.5185	0.827	2	110.5185	0.683	2	110.5185	0.683	2	110.5185	0.683	2	107.8150	4.374	109	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	3:4:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[6]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CC[6]HH)(CH3)	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CC[6]HH)(CH3){4|H<1>}	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	C(C[5]O[5]2C)(H)3	114.2845	0.846	2	114.2845	0.716	2	114.2845	0.716	2	114.2845	0.716	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-2:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6a])2(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	110.7910	0.000	1	110.7910	0.000	1	115.8655	69.013	4	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-2:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5])2(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5])2(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	117.5570	9.293	3	117.5570	86.352	3	115.8655	69.013	4	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2{2|C<3>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	114.6770	0.854	2	114.6770	0.730	2	113.8523	2.405	3	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5])(O[5]P[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5])(O[5]P[5])(CH3)2{1|W<6>,2|C<4>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	112.2030	0.000	1	112.2030	0.000	1	113.8523	2.405	3	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](O[5]C[5,6])2(CF3)2	C(C[5]O[5]2C)(F)3	C(C[5]O[5]2C)(F)3	C[5](O[5]C[5,6])2(CF3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(F)3	C(C[5]O[5]2C)(F)3	113.2125	0.644	2	113.2125	0.415	2	113.2125	0.415	2	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[3x5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[3x5,6])2(CH3)2{2|C<3>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.7430	0.000	1	113.7430	0.000	1	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.0283	0.124	3	113.0283	0.015	3	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[4,5,6])(O[5]C[4,5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5,6])(O[5]C[4,5])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.2910	0.000	1	112.2910	0.000	1	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	114.7736	0.216	5	114.7736	0.047	5	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[4,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.2610	0.000	1	112.5255	0.140	2	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[4,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.7900	0.000	1	112.5255	0.140	2	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.9755	0.675	2	112.9755	0.456	2	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.3090	0.144	2	112.7273	0.506	6	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.4365	0.706	4	112.7273	0.506	6	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.6600	0.502	2	113.6600	0.252	2	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.9620	0.000	1	113.3764	0.401	16	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.5310	0.000	1	113.3764	0.401	16	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.3950	0.669	14	113.3764	0.401	16	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	114.0145	0.465	4	113.3595	0.808	12	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	111.9200	0.083	2	113.3595	0.808	12	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	114.1535	0.484	2	113.3595	0.808	12	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.7830	0.372	2	113.3595	0.808	12	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.0970	0.000	1	113.3595	0.808	12	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.4460	0.000	1	113.3595	0.808	12	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.9151	0.534	7	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.1268	0.474	19	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.7581	0.534	16	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.0513	1.412	3	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.8940	0.000	1	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.3113	0.775	163	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,3|C<3>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.9750	0.000	1	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.3878	0.486	9	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.4644	0.496	7	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.7570	0.625	2	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.1422	0.852	94	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{4|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.7500	0.000	1	113.2201	0.613	323	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.5940	0.000	1	113.4331	0.167	18	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.4236	0.419	17	113.4331	0.167	18	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.4545	1.012	2	113.4786	0.250	9	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.3830	0.000	1	113.4786	0.250	9	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.1520	0.000	1	113.4786	0.250	9	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.5726	0.450	5	113.4786	0.250	9	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.4090	0.000	1	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.1758	0.679	58	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.9060	0.698	11	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	114.5790	0.000	1	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.1058	0.669	32	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.8468	0.993	4	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<3>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.6220	0.000	1	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<3>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.6430	0.000	1	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.8485	0.527	13	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.1933	0.814	149	113.1514	0.572	271	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6a])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	115.3501	1.232	17	115.3501	1.517	17	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.9657	0.971	3	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.1249	0.572	15	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.0760	0.651	2	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.0147	0.661	8	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.2280	0.986	6	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.0833	1.225	153	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	112.8750	0.000	1	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{2|C<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.1490	0.000	1	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.3757	0.671	4	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	113.1555	1.067	117	113.1157	1.220	310	113.2185	0.879	998	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	S[5]-2:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](S[5]C[5,6a])2(CH3)2	C(C[5]S[5]2C)(H)3	C(C[5]S[5]2C)(H)3	C[5](S[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]S[5]2C)(H)3	C(C[5]S[5]2C)(H)3	111.6274	0.837	8	111.6274	0.700	8	111.6274	0.700	8	113.2182	1.127	1015	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:2:1:1:	4:1:1:1:	S[5]-2:S[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](S[5]C[5,6a])2(CHHO)(CH3)	C(C[5]S[5]2C)(OH)(H)2	C(C[5]S[5]2C)(H)3	C[5](S[5]C[5,6a])2(CHHO)(CH3){2|C<3>}	C(C[5]S[5]2C)(OH)(H)2	C(C[5]S[5]2C)(H)3	112.0782	0.735	4	112.0782	0.540	4	112.0782	0.540	4	112.0782	0.540	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:3:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6a])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[6a]N)(H)2	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6a])2(CCHH)(CH3){2|C<3>}	C(C[5]O[5]2C)(CC[6a]N)(H)2	C(C[5]O[5]2C)(H)3	113.3700	0.000	1	113.3700	0.000	1	113.3700	0.000	1	113.3700	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:3:1:1:	4:3:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N-3:H-1:H-1:	C[5](O[5]C[5])2(CHHN)2	C(C[5]O[5]2C)(NCC)(H)2	C(C[5]O[5]2C)(NCC)(H)2	C[5](O[5]C[5])2(CHHN)2{4|H<1>}	C(C[5]O[5]2C)(NCC)(H)2	C(C[5]O[5]2C)(NCC)(H)2	115.0035	0.626	2	115.0035	0.392	2	115.0035	0.392	2	115.0035	0.392	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[3]HO)(H)2	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	C(C[5]O[5]2C)(CC[3]HO)(H)2	C(C[5]O[5]2C)(H)3	114.0700	0.000	1	114.0700	0.000	1	113.1163	2.525	7	113.1163	2.525	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[6]HH)(H)2	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	C(C[5]O[5]2C)(CC[6]HH)(H)2	C(C[5]O[5]2C)(H)3	113.1853	0.842	3	113.1853	0.710	3	113.1163	2.525	7	113.1163	2.525	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[6a]2O)(H)2	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	C(C[5]O[5]2C)(CC[6a]2O)(H)2	C(C[5]O[5]2C)(H)3	115.5930	0.000	1	115.5930	0.000	1	113.1163	2.525	7	113.1163	2.525	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[6a]CH)(H)2	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	C(C[5]O[5]2C)(CC[6a]CH)(H)2	C(C[5]O[5]2C)(H)3	111.2975	0.241	2	111.2975	0.058	2	113.1163	2.525	7	113.1163	2.525	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	N[5]-2:S[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](N[5]N[5])(S[5]C[5])(CCHH)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	C[5](N[5]N[5])(S[5]C[5])(CCHH)2{1|N<2>}	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	113.5338	2.744	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](O[5]C[5,5])2(CCHH)2	C(C[5]O[5]2C)(CH3)(H)2	C(C[5]O[5]2C)(CH3)(H)2	C[5](O[5]C[5,5])2(CCHH)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(CH3)(H)2	C(C[5]O[5]2C)(CH3)(H)2	114.8360	0.847	3	114.8360	0.718	3	113.9565	1.612	10	113.5338	2.744	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](O[5]C[5,6a])2(CCHH)2	C(C[5]O[5]2C)(CCCH)(H)2	C(C[5]O[5]2C)(CCCH)(H)2	C[5](O[5]C[5,6a])2(CCHH)2{2|C<3>}	C(C[5]O[5]2C)(CCCH)(H)2	C(C[5]O[5]2C)(CCCH)(H)2	115.9490	0.000	1	115.9490	0.000	1	113.9565	1.612	10	113.5338	2.744	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](O[5]C[5])2(CCHH)2	C(C[5]O[5]2C)(CCHH)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	C(C[5]O[5]2C)(CCHH)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	113.2390	0.000	1	113.2390	0.000	1	113.9565	1.612	10	113.5338	2.744	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](O[5]C[5])2(CCHH)2	C(C[5]O[5]2C)(CCHH)(H)2	C(C[5]O[5]2C)(CCHO)(H)2	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	C(C[5]O[5]2C)(CCHH)(H)2	C(C[5]O[5]2C)(CCHO)(H)2	113.8560	0.000	1	113.8560	0.000	1	113.9565	1.612	10	113.5338	2.744	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](O[5]C[5])2(CCHH)2	C(C[5]O[5]2C)(CC[5]HH)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	C(C[5]O[5]2C)(CC[5]HH)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	111.6380	0.000	1	111.6380	0.000	1	113.9565	1.612	10	113.5338	2.744	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](O[5]C[5])2(CCHH)2	C(C[5]O[5]2C)(CH3)(H)2	C(C[5]O[5]2C)(CH3)(H)2	C[5](O[5]C[5])2(CCHH)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(CH3)(H)2	C(C[5]O[5]2C)(CH3)(H)2	113.4583	0.259	3	113.4583	0.067	3	113.9565	1.612	10	113.5338	2.744	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	S[5]-2:S[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](S[5]C[5,6a])2(CCHH)2	C(C[5]S[5]2C)(CCHH)(H)2	C(C[5]S[5]2C)(CCHH)(H)2	C[5](S[5]C[5,6a])2(CCHH)2{2|C<3>}	C(C[5]S[5]2C)(CCHH)(H)2	C(C[5]S[5]2C)(CCHH)(H)2	112.1555	3.268	2	112.1555	10.677	2	112.1555	10.677	2	113.5338	2.744	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:2:1:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:F-1:F-1:H-1:	C[5](O[5]C[5])2(CCHO)(CFFH)	C(C[5]O[5]2C)(CCHH)(OH)(H)	C(C[5]O[5]2C)(F)2(H)	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(CCHH)(OH)(H)	C(C[5]O[5]2C)(F)2(H)	114.1910	0.000	1	114.1910	0.000	1	114.1910	0.000	1	114.1910	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:4:1:	4:4:4:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](O[5]C[5])2(CCCH)2	C(C[5]O[5]2C)(CC[5a]HH)2(H)	C(C[5]O[5]2C)(CC[5a]HH)2(H)	C[5](O[5]C[5])2(CCCH)2{4|H<1>}	C(C[5]O[5]2C)(CC[5a]HH)2(H)	C(C[5]O[5]2C)(CC[5a]HH)2(H)	118.9350	0.000	1	118.9350	0.000	1	115.5760	7.523	4	115.5760	7.523	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:4:1:	4:4:4:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](O[5]C[5])2(CCCH)2	C(C[5]O[5]2C)(CC[6a]HH)2(H)	C(C[5]O[5]2C)(CC[6a]HH)2(H)	C[5](O[5]C[5])2(CCCH)2{4|H<1>}	C(C[5]O[5]2C)(CC[6a]HH)2(H)	C(C[5]O[5]2C)(CC[6a]HH)2(H)	116.6830	0.000	1	116.6830	0.000	1	115.5760	7.523	4	115.5760	7.523	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:4:1:	4:4:4:1:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](O[5]C[5])2(CCCH)2	C(C[5]O[5]2C)(CH3)2(H)	C(C[5]O[5]2C)(CH3)2(H)	C[5](O[5]C[5])2(CCCH)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(CH3)2(H)	C(C[5]O[5]2C)(CH3)2(H)	113.3430	0.296	2	113.3430	0.087	2	115.5760	7.523	4	115.5760	7.523	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:2:4:4:	4:4:4:4:	4:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:	C[4]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5])2(CC[4]CC)(CH3)	C(C[4]C[4,6a]C[4]O)(C[5]O[5]2C)(CH3)2	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CC[4]CC)(CH3){4|H<1>}	C(C[4]C[4,6a]C[4]O)(C[5]O[5]2C)(CH3)2	C(C[5]O[5]2C)(H)3	114.5550	0.000	1	114.5550	0.000	1	114.5550	0.000	1	114.5550	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2	C(C[5]C[5]O[5]C)(F)3	C(C[5]C[5]O[5]C)(F)3	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2{1|C<4>,1|N<2>,1|O<2>}	C(C[5]C[5]O[5]C)(F)3	C(C[5]C[5]O[5]C)(F)3	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	112.1816	0.859	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.1430	0.000	1	112.1430	0.000	1	112.3633	0.469	12	112.1816	0.859	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.0320	0.000	1	111.0320	0.000	1	112.3633	0.469	12	112.1816	0.859	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.9880	0.198	2	112.9880	0.039	2	112.3633	0.469	12	112.1816	0.859	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.9427	0.622	3	112.5664	0.459	5	112.3633	0.469	12	112.1816	0.859	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.0040	0.000	1	112.5664	0.459	5	112.3633	0.469	12	112.1816	0.859	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|O<2>,2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.0000	0.000	1	112.5664	0.459	5	112.3633	0.469	12	112.1816	0.859	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.8440	0.000	1	111.8440	0.000	1	112.3633	0.469	12	112.1816	0.859	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2{1|Ni<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.2665	0.435	2	112.2665	0.189	2	112.3633	0.469	12	112.1816	0.859	13	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:3:4:4:	4:3:1:1:	4:3:1:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2	C(C[5]C[5]O[5]C)(COO)(H)2	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2{2|O<2>}	C(C[5]C[5]O[5]C)(COO)(H)2	C(C[5]C[5]O[5]C)(COO)(H)2	106.4450	0.127	2	106.4450	0.016	2	106.4450	0.016	2	106.4450	0.016	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:4:3:4:	4:4:1:1:	4:4:1:1:	O[5]-2:C-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.7703	0.618	3	108.9439	0.422	7	109.3111	1.350	11	109.3111	1.350	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2{1|N<3>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.2195	1.139	2	108.9439	0.422	7	109.3111	1.350	11	109.3111	1.350	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2{2|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.9285	0.476	2	108.9439	0.422	7	109.3111	1.350	11	109.3111	1.350	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2{1|C<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9570	0.378	2	109.9537	2.791	4	109.3111	1.350	11	109.3111	1.350	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2{3|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9505	2.869	2	109.9537	2.791	4	109.3111	1.350	11	109.3111	1.350	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	114.2850	0.000	1	113.6565	0.790	2	113.6565	0.790	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{4|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	113.0280	0.000	1	113.6565	0.790	2	113.6565	0.790	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(CH3)2	C(C[5]C[5,5a]O[5]C)(H)3	C(C[5]C[5,5a]O[5]C)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,5a]O[5]C)(H)3	C(C[5]C[5,5a]O[5]C)(H)3	112.4700	0.000	1	112.4700	0.000	1	112.3675	0.021	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2	C(C[5]C[5,5a]O[5]C)(H)3	C(C[5]C[5,5a]O[5]C)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2{2|H<1>,3|C<3>}	C(C[5]C[5,5a]O[5]C)(H)3	C(C[5]C[5,5a]O[5]C)(H)3	112.2650	0.000	1	112.2650	0.000	1	112.3675	0.021	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{2|C<3>,2|O<1>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	113.3130	0.177	2	113.3130	0.031	2	113.1860	0.064	3	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2{1|C<3>,1|O<1>,1|S<4>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	112.9320	0.000	1	112.9320	0.000	1	113.1860	0.064	3	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	111.0658	0.574	4	111.6541	0.932	8	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|H<1>,2|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	112.2425	0.961	4	111.6541	0.932	8	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2{1|Fe<8>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	109.0135	0.175	2	109.3087	0.433	6	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2{1|Ge<5>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	109.4562	0.790	4	109.3087	0.433	6	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5])(CF3)2{1|Ge<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	110.9240	0.257	2	110.9240	0.066	2	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CF3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	110.5420	0.000	1	110.5420	0.000	1	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[4,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	111.9862	0.782	4	111.9862	0.612	4	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2{1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	109.7380	0.779	5	109.7380	0.607	5	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	111.6900	0.000	1	110.3187	1.954	3	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	109.6330	1.042	2	110.3187	1.954	3	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	111.4770	0.000	1	111.3290	0.035	3	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	111.2550	0.191	2	111.3290	0.035	3	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	110.0190	0.000	1	110.0190	0.000	1	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	111.8820	0.413	4	111.1707	1.341	6	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|Si<5>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	109.7480	0.349	2	111.1707	1.341	6	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	110.8475	0.012	2	110.0243	0.578	6	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2{1|Si<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	C(C[5]C[5,6a]O[5]C)(F)3	109.6128	0.535	4	110.0243	0.578	6	110.6720	1.431	45	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2{1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	111.6610	0.132	3	111.6610	0.017	3	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	112.4715	0.559	2	112.4770	0.204	11	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	112.4370	0.000	1	112.4770	0.204	11	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	112.6160	0.501	6	112.4770	0.204	11	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	112.0855	0.221	2	112.4770	0.204	11	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	110.8710	0.000	1	111.4960	0.191	7	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|F<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	111.6608	0.277	4	111.4960	0.191	7	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	111.9350	0.000	1	111.4960	0.191	7	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|H<1>,2|C<3>,3|F<1>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	111.0230	0.000	1	111.4960	0.191	7	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2{2|C<3>,2|O<1>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	113.8775	0.590	2	113.8775	0.349	2	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	C(C[5]C[5,6a]O[5]C)(H)3	113.6280	0.554	4	113.6280	0.307	4	112.4063	0.858	27	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2{2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.3840	0.000	1	110.3840	0.000	1	111.5383	0.649	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.4110	0.000	1	111.9798	0.411	5	111.5383	0.649	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.1220	0.643	4	111.9798	0.411	5	111.5383	0.649	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.1510	0.000	1	111.1510	0.000	1	111.5383	0.649	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.8720	0.000	1	110.8720	0.000	1	111.5383	0.649	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2	C(C[5]C[5]O[5]C)(F)3	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(F)3	C(C[5]C[5]O[5]C)(F)3	111.6180	0.000	1	111.6180	0.000	1	111.6180	0.000	1	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	114.1630	0.000	1	114.1630	0.000	1	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.5150	0.000	1	111.5150	0.000	1	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.8530	0.252	4	112.8530	0.063	4	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.7590	0.000	1	112.7590	0.000	1	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.2340	0.000	1	112.2340	0.000	1	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	113.3364	0.838	21	113.2845	0.656	28	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	113.2680	0.000	1	113.2845	0.656	28	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6040	1.003	2	113.2845	0.656	28	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	113.5620	0.223	2	113.2845	0.656	28	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.3040	0.000	1	113.2845	0.656	28	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,1|S<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	113.9980	0.000	1	113.2845	0.656	28	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6410	0.000	1	112.6410	0.000	1	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.7610	0.000	1	112.7610	0.000	1	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6750	1.708	2	112.7022	1.072	6	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.9370	0.103	2	112.7022	1.072	6	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	113.4945	0.071	2	112.7022	1.072	6	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.0662	0.319	4	111.0662	0.102	4	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.9825	0.441	2	112.7176	0.189	7	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6890	0.742	2	112.7176	0.189	7	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.2240	0.000	1	112.7176	0.189	7	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.7820	0.000	1	112.7176	0.189	7	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6740	0.000	1	112.7176	0.189	7	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2{1|C<3>,2|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	113.1710	0.000	1	113.1710	0.000	1	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|C<2>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	114.0715	0.033	2	113.2853	1.855	3	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.7130	0.000	1	113.2853	1.855	3	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6140	0.393	2	112.6140	0.155	2	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.9920	0.000	1	112.9920	0.000	1	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	102.9100	0.000	1	105.6100	14.580	2	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.3100	0.000	1	105.6100	14.580	2	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.8710	0.000	1	112.7635	1.593	2	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	113.6560	0.000	1	112.7635	1.593	2	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.0740	0.000	1	112.0740	0.000	1	112.6719	2.592	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:O-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)2(O)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(H)2(O)	C(C[5]C[5]O[5]C)(H)3	113.5040	0.209	2	113.5040	0.044	2	113.5040	0.044	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	110.6700	0.000	1	111.4766	0.239	7	111.4766	0.239	7	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	111.2580	0.000	1	111.4766	0.239	7	111.4766	0.239	7	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	111.5713	0.307	4	111.4766	0.239	7	111.4766	0.239	7	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|N<3>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	112.1230	0.000	1	111.4766	0.239	7	111.4766	0.239	7	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[3,5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[3,5]C[3,5]C[3])(N[5]C[5])(CH3)2	C(C[5]N[3,5]N[5]C)(H)3	C(C[5]N[3,5]N[5]C)(H)3	C[5](N[3,5]C[3,5]C[3])(N[5]C[5])(CH3)2{2|C<3>,2|H<1>}	C(C[5]N[3,5]N[5]C)(H)3	C(C[5]N[3,5]N[5]C)(H)3	111.3490	0.639	4	111.3490	0.408	4	111.3490	0.408	4	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]N[5,5]O[5]C)(H)3	C(C[5]N[5,5]O[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>,3|H<1>}	C(C[5]N[5,5]O[5]C)(H)3	C(C[5]N[5,5]O[5]C)(H)3	112.3980	0.000	1	112.4943	0.012	3	112.4943	0.012	3	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]N[5,5]O[5]C)(H)3	C(C[5]N[5,5]O[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	C(C[5]N[5,5]O[5]C)(H)3	C(C[5]N[5,5]O[5]C)(H)3	112.5425	0.097	2	112.4943	0.012	3	112.4943	0.012	3	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C(C[5]N[5,6]O[5]C)(H)3	C(C[5]N[5,6]O[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]N[5,6]O[5]C)(H)3	C(C[5]N[5,6]O[5]C)(H)3	113.5600	0.000	1	112.5675	1.970	2	112.5675	1.970	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C(C[5]N[5,6]O[5]C)(H)3	C(C[5]N[5,6]O[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]N[5,6]O[5]C)(H)3	C(C[5]N[5,6]O[5]C)(H)3	111.5750	0.000	1	112.5675	1.970	2	112.5675	1.970	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2	C(C[5]N[5,6]S[5]C)(H)3	C(C[5]N[5,6]S[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[5]N[5,6]S[5]C)(H)3	C(C[5]N[5,6]S[5]C)(H)3	111.6710	0.000	1	111.2880	0.293	2	111.2880	0.293	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2	C(C[5]N[5,6]S[5]C)(H)3	C(C[5]N[5,6]S[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]N[5,6]S[5]C)(H)3	C(C[5]N[5,6]S[5]C)(H)3	110.9050	0.000	1	111.2880	0.293	2	111.2880	0.293	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	112.7000	0.000	1	112.7000	0.000	1	112.5955	1.633	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]H)(N[5]C[5])(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]H)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	111.7810	0.000	1	111.7810	0.000	1	112.5955	1.633	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	111.1380	0.000	1	112.5850	4.188	2	112.5955	1.633	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	114.0320	0.000	1	112.5850	4.188	2	112.5955	1.633	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	112.0960	0.653	3	112.0960	0.426	3	112.5955	1.633	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]N[5]O)(N[5]C[5])(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]N[5]O)(N[5]C[5])(CH3)2{1|O<1>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	114.8250	0.000	1	114.8250	0.000	1	112.5955	1.633	8	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2{2|C<4>,2|H<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	112.7040	0.000	1	112.7040	0.000	1	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	112.8000	0.000	1	112.8000	0.000	1	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	112.5980	0.444	4	112.9986	0.693	56	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	113.6402	0.581	12	112.9986	0.693	56	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	112.8245	0.763	26	112.9986	0.693	56	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	111.0070	0.000	2	112.9986	0.693	56	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	113.4663	0.576	7	112.9986	0.693	56	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	112.8270	0.569	5	112.9986	0.693	56	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	112.2530	0.337	3	112.1822	0.929	6	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	112.9165	0.706	2	112.1822	0.929	6	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	110.5010	0.000	1	112.1822	0.929	6	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,3|C<3>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	111.3170	0.000	1	112.2220	1.638	2	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{2|N<2>,4|H<1>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	113.1270	0.000	1	112.2220	1.638	2	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]N[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>}	C(C[5]N[5]O[5]C)(H)3	C(C[5]N[5]O[5]C)(H)3	113.8250	0.000	1	113.8250	0.000	1	112.9073	0.756	67	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(CH3)2	C(C[5]N[5]S[5]C)(H)3	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]N[5]S[5]C)(H)3	C(C[5]N[5]S[5]C)(H)3	111.3710	0.000	1	111.3710	0.000	1	112.0990	1.381	4	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(S[5]C[5])(CH3)2	C(C[5]N[5]S[5]C)(H)3	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(CH3)2{1|H<1>,1|S<2>,2|C<4>}	C(C[5]N[5]S[5]C)(H)3	C(C[5]N[5]S[5]C)(H)3	110.8280	0.000	1	110.8280	0.000	1	112.0990	1.381	4	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]N)(S[5]C[5])(CH3)2	C(C[5]N[5]S[5]C)(H)3	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5]N)(S[5]C[5])(CH3)2{1|O<1>,2|H<1>}	C(C[5]N[5]S[5]C)(H)3	C(C[5]N[5]S[5]C)(H)3	113.1040	0.000	1	113.1040	0.000	1	112.0990	1.381	4	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]N[5]C)(S[5]C[5])(CH3)2	C(C[5]N[5]S[5]C)(H)3	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]N[5]C)(S[5]C[5])(CH3)2{1|N<3>}	C(C[5]N[5]S[5]C)(H)3	C(C[5]N[5]S[5]C)(H)3	113.0930	0.000	1	113.0930	0.000	1	112.0990	1.381	4	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	O[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]C[5]Mn)(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5]Mn)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	C(C[5]O[5]2C)(H)3	114.3795	0.419	2	114.3795	0.176	2	114.3795	0.176	2	112.2672	2.039	256	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:2:1:1:	4:1:1:1:	C[5,6a]-3:N[5]-2:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C(C[5]C[5,6a]N[5]C)(H)3	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	111.0795	0.024	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(H)3	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	111.0795	0.024	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	C(C[5]C[5,5a]O[5]C)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	C(C[5]C[5,5a]O[5]C)(H)3	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	C(C[5]C[5,6a]O[5]C)(H)3	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CCH)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(CCH)(H)2	C(C[5]C[5]N[5]C)(H)3	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCO)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(CCO)(H)2	C(C[5]C[5]O[5]C)(H)3	111.4820	0.000	1	111.4820	0.000	1	112.3056	1.914	5	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCC)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(CCC)(H)2	C(C[5]C[5]O[5]C)(H)3	110.6330	0.000	1	110.6330	0.000	1	112.3056	1.914	5	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(H)3	112.8730	0.000	1	112.8730	0.000	1	112.3056	1.914	5	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(H)3	114.2700	0.000	1	114.2700	0.000	1	112.3056	1.914	5	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCC)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(CCC)(H)2	C(C[5]C[5]O[5]C)(H)3	112.2700	0.000	1	112.2700	0.000	1	112.3056	1.914	5	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3)	C(C[5]N[5]O[5]C)(CCN)(H)2	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C(C[5]N[5]O[5]C)(CCN)(H)2	C(C[5]N[5]O[5]C)(H)3	111.3080	0.000	1	111.3080	0.000	1	111.6495	0.233	2	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3)	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3){3|C<3>}	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	C(C[5]N[5]O[5]C)(H)3	111.9910	0.000	1	111.9910	0.000	1	111.6495	0.233	2	112.2986	2.994	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:1:1:	4:3:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2{2|C<3>}	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(COO)(H)2	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:2:1:	4:4:4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3)	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	C(C[5]C[5]O[5]C)(CH3)3	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	C(C[5]C[5]O[5]C)(CH3)3	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:3:1:	4:3:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]O[5]C)(COO)(H)2	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:3:4:1:	4:4:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5]O[5]C)(CH3)(H)2	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(H)3	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C(C[5]C[5]O[5]C)(H)3	113.6080	0.651	2	113.6080	0.423	2	113.6080	0.423	2	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(H)3	113.8410	0.591	2	113.8410	0.349	2	112.6913	4.140	3	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCCH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(CCCH)(H)2	C(C[5]C[5]O[5]C)(H)3	110.3920	0.000	1	110.3920	0.000	1	112.6913	4.140	3	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3){1|H<1>,1|O<1>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)3	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3)	C(C[5]N[5]2C)(CH3)(H)2	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3){1|S<1>,2|C<3>}	C(C[5]N[5]2C)(CH3)(H)2	C(C[5]N[5]2C)(H)3	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3)	C(C[5]N[5]O[5]C)(CH3)(H)2	C(C[5]N[5]O[5]C)(Cl)3	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3){2|C<3>,4|H<1>}	C(C[5]N[5]O[5]C)(CH3)(H)2	C(C[5]N[5]O[5]C)(Cl)3	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:F-1:F-1:H-1:	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH)	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(C[5]N[5]O[5]C)(F)2(H)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH){2|C<3>}	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(C[5]N[5]O[5]C)(F)2(H)	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3)	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(C[5]N[5]O[5]C)(H)3	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3)	C(C[5]N[5]O[5]C)2(H)2	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3){3|C<3>}	C(C[5]N[5]O[5]C)2(H)2	C(C[5]N[5]O[5]C)(H)3	112.6695	3.992	2	112.6695	15.933	2	112.6695	15.933	2	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:S[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)(CH3)	C(C[5]N[5]S[5]C)(CC3)(H)2	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C(C[5]N[5]S[5]C)(CC3)(H)2	C(C[5]N[5]S[5]C)(H)3	108.3220	0.000	1	108.3220	0.000	1	109.6025	3.279	2	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:S[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CH3)	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CH3){1|N<3>}	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C(C[5]N[5]S[5]C)(H)3	110.8830	0.000	1	110.8830	0.000	1	109.6025	3.279	2	111.9059	4.886	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:3:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH){2|C<3>}	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(COO)(H)2	109.2710	0.361	3	109.2710	0.130	3	109.2710	0.130	3	109.2710	0.130	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	111.0500	0.683	2	111.0500	0.467	2	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	109.0200	0.000	1	109.0200	0.000	1	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	109.7965	0.063	2	109.7965	0.004	2	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	113.1845	2.021	4	112.7371	2.372	7	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,1|I<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	112.3590	0.000	1	112.7371	2.372	7	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,2|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	112.0315	0.189	2	112.7371	2.372	7	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	112.3863	0.814	4	112.1603	0.521	6	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,2|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	111.7085	0.069	2	112.1603	0.521	6	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<1>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	111.2830	0.000	1	111.5250	0.597	3	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	111.6460	1.052	2	111.5250	0.597	3	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	112.4688	1.371	4	111.9399	0.848	22	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	111.8223	0.797	18	111.9399	0.848	22	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	108.9780	0.085	2	108.9780	0.007	2	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	110.0610	1.042	2	110.0610	1.086	2	111.6631	1.804	47	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)2	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2{1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	112.4170	0.000	1	112.4170	0.000	1	111.4484	7.246	5	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CHHS)(H)2	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2{1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(CHHS)(H)2	C(C[5]C[5]O[5]C)(CH3)(H)2	109.5840	0.000	1	109.5840	0.000	1	111.4484	7.246	5	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	115.7500	0.000	1	115.7500	0.000	1	111.4484	7.246	5	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2	C(C[5]C[5]O[5]C)(CH3)(H)2	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2{1|S<1>,4|C<3>}	C(C[5]C[5]O[5]C)(CH3)(H)2	C(C[5]C[5]O[5]C)(CH3)(H)2	109.7455	0.517	2	109.7455	0.267	2	111.4484	7.246	5	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2	C(C[5]N[5]2C)(CCHH)(H)2	C(C[5]N[5]2C)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2{1|S<1>,2|C<3>}	C(C[5]N[5]2C)(CCHH)(H)2	C(C[5]N[5]2C)(CCHH)(H)2	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C-4:H-1:H-1:	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	112.6880	2.011	2	112.6880	4.044	2	112.6880	4.044	2	111.7213	2.338	56	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:2:1:	4:1:1:1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C(C[5]C[5,6a]O[5]C)(H)3	111.8805	2.778	2	111.8805	7.719	2	111.8805	7.719	2	112.3930	5.384	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	114.8270	0.000	1	114.8270	0.000	1	112.9055	7.384	2	112.3930	5.384	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C(C[5]C[5]O[5]C)(H)3	110.9840	0.000	1	110.9840	0.000	1	112.9055	7.384	2	112.3930	5.384	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:3:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3)	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C(C[5]C[5]N[5]C)(H)3	110.9660	0.000	1	110.9660	0.000	1	110.9660	0.000	1	112.0540	1.365	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:3:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C(C[5]C[5]O[5]C)(H)3	113.2890	0.000	1	113.2890	0.000	1	113.2890	0.000	1	112.0540	1.365	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:3:1:	4:1:1:1:	N[5]-3:S[5]-2:C-4:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]N[5]C)(S[5]C[5])(CCHN)(CH3)	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]N[5]C)(S[5]C[5])(CCHN)(CH3){1|N<3>}	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	C(C[5]N[5]S[5]C)(H)3	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	112.0540	1.365	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:4:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	113.0810	0.572	3	113.1024	0.199	5	113.1024	0.199	5	113.3228	0.451	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:4:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|Cu<5>,1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	113.3970	0.000	1	113.1024	0.199	5	113.1024	0.199	5	113.3228	0.451	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:4:1:	4:1:1:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	112.8720	0.000	1	113.1024	0.199	5	113.1024	0.199	5	113.3228	0.451	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:4:1:	4:1:1:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3)	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	C(C[5]C[5]O[5]C)(H)3	114.4250	0.000	1	114.4250	0.000	1	114.4250	0.000	1	113.3228	0.451	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:2:4:4:	4:4:4:1:	4:4:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2	C(C[5]C[5]O[5]C)(CH3)2(H)	C(C[5]C[5]O[5]C)(CH3)2(H)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2{1|C<3>}	C(C[5]C[5]O[5]C)(CH3)2(H)	C(C[5]C[5]O[5]C)(CH3)2(H)	116.7700	0.000	1	116.7700	0.000	1	116.7700	0.000	1	116.7700	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	3:3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2{2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	109.2423	1.840	3	109.2423	3.386	3	109.1783	2.274	4	109.1783	2.274	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2{1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	108.9860	0.000	1	108.9860	0.000	1	109.1783	2.274	4	109.1783	2.274	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	108.2455	0.805	2	109.1776	0.979	5	110.0219	1.560	16	109.9858	1.484	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	109.7990	0.431	3	109.1776	0.979	5	110.0219	1.560	16	109.9858	1.484	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	109.2650	0.168	2	109.2650	0.028	2	110.0219	1.560	16	109.9858	1.484	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	109.7260	0.000	1	110.6591	1.386	9	110.0219	1.560	16	109.9858	1.484	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	111.0117	0.830	3	110.6591	1.386	9	110.0219	1.560	16	109.9858	1.484	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	112.2350	0.000	1	110.6591	1.386	9	110.0219	1.560	16	109.9858	1.484	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	110.2340	1.324	4	110.6591	1.386	9	110.0219	1.560	16	109.9858	1.484	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)2(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CN[5]HH)(CH3){2|C<4>}	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	109.9858	1.484	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:2:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(OH)(H)2	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:3:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(CCH)(H)2	109.0503	1.714	4	109.0503	2.939	4	109.0503	2.939	4	109.1010	1.745	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:3:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N-3:H-1:H-1:	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(NC[6a]C)(H)2	108.1790	0.000	1	108.1790	0.000	1	109.1687	0.815	3	109.1010	1.745	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:3:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N-3:H-1:H-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN){4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(NC[6a]C)(H)2	109.6635	0.401	2	109.6635	0.161	2	109.1687	0.815	3	109.1010	1.745	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:1:1:	4:4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(CCHH)(CF3)(H)	110.6525	0.569	6	110.6525	0.323	6	110.6525	0.323	6	110.6525	0.323	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:2:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3){2|C<4>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	3:4:3:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	110.0960	0.536	2	110.0960	0.287	2	110.0960	0.287	2	110.0960	0.287	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]N[5])2(CH3)2	C(C[5]C[5,5]2C)(H)3	C(C[5]C[5,5]2C)(H)3	C[5](C[5,5]C[5,5]N[5])2(CH3)2{4|C<3>}	C(C[5]C[5,5]2C)(H)3	C(C[5]C[5,5]2C)(H)3	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2{1|P<3>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	111.0640	0.000	1	111.0640	0.000	1	110.9090	0.138	3	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	110.8315	0.490	2	110.8315	0.240	2	110.9090	0.138	3	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2	C(C[5]C[5,5a]2C)(H)3	C(C[5]C[5,5a]2C)(H)3	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2{2|B<4>,4|C<3>}	C(C[5]C[5,5a]2C)(H)3	C(C[5]C[5,5a]2C)(H)3	109.7680	0.000	1	109.7680	0.000	1	109.7680	0.000	1	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C(C[5]C[5,5a]C[5,6a]C)(H)3	C(C[5]C[5,5a]C[5,6a]C)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|S<2>,2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(H)3	C(C[5]C[5,5a]C[5,6a]C)(H)3	110.2140	0.226	2	110.2140	0.051	2	110.2140	0.051	2	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2{1|S<4>,3|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)3	111.0560	0.000	1	111.0560	0.000	1	110.8178	0.597	9	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)3	110.9360	1.175	4	110.7880	0.674	8	110.8178	0.597	9	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{2|C<3>,3|H<1>}	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)3	110.6400	0.365	4	110.7880	0.674	8	110.8178	0.597	9	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,5a]N[5]C)(H)3	C(C[5]C[5,5a]N[5]C)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C(C[5]C[5,5a]N[5]C)(H)3	C(C[5]C[5,5a]N[5]C)(H)3	111.1450	0.000	1	111.1450	0.000	1	111.4185	0.150	2	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,5a]N[5]C)(H)3	C(C[5]C[5,5a]N[5]C)(H)3	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2{2|C<3>,2|C<4>}	C(C[5]C[5,5a]N[5]C)(H)3	C(C[5]C[5,5a]N[5]C)(H)3	111.6920	0.000	1	111.6920	0.000	1	111.4185	0.150	2	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	110.0880	0.000	1	110.9000	0.849	4	110.9000	0.849	4	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	110.7000	0.583	2	110.9000	0.849	4	110.9000	0.849	4	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|O<1>,3|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	112.1120	0.000	1	110.9000	0.849	4	110.9000	0.849	4	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C(C[5]C[5,6a]C[5,5]C)(H)3	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	108.8760	0.000	1	108.8760	0.000	1	110.0317	1.194	3	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	110.6095	0.620	2	110.6095	0.385	2	110.0317	1.194	3	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2	C(C[5]C[5,6a]2C)(H)3	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C(C[5]C[5,6a]2C)(H)3	110.3300	0.000	1	110.3300	0.000	1	110.1052	0.313	76	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|C<3>,2|H<1>,2|N<2>}	C(C[5]C[5,6a]2C)(H)3	C(C[5]C[5,6a]2C)(H)3	110.6715	0.402	2	110.0970	0.319	74	110.1052	0.313	76	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C(C[5]C[5,6a]2C)(H)3	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(H)3	C(C[5]C[5,6a]2C)(H)3	110.0810	0.562	72	110.0970	0.319	74	110.1052	0.313	76	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C(C[5]C[5,6a]2C)(H)3	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(H)3	C(C[5]C[5,6a]2C)(H)3	110.4910	0.000	1	110.4910	0.000	1	110.1052	0.313	76	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.6435	2.661	2	109.6435	7.080	2	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|B<6>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.4350	0.000	1	110.4794	0.292	5	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.4905	0.623	4	110.4794	0.292	5	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.3540	0.363	2	110.3540	0.132	2	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	111.1680	0.000	1	111.1680	0.000	1	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.2792	0.996	4	110.2792	0.991	4	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	111.1333	0.789	78	111.0509	0.582	113	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	111.2955	0.364	2	111.0509	0.582	113	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	111.0196	0.677	13	111.0509	0.582	113	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Pd<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.4254	0.823	9	111.0509	0.582	113	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.9706	0.451	11	111.0509	0.582	113	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.8080	0.000	1	109.8080	0.000	1	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	111.7410	0.000	1	111.7410	0.000	1	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	111.4560	0.000	1	111.4560	0.000	1	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	112.4186	1.056	17	112.3727	1.088	18	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	111.5910	0.000	1	112.3727	1.088	18	111.1428	0.928	148	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,6a]N[5]C)(H)3	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(H)3	C(C[5]C[5,6a]N[5]C)(H)3	111.1735	0.636	21	111.1162	0.408	23	110.9489	0.549	27	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C(C[5]C[5,6a]N[5]C)(H)3	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{2|C<4>,3|C<3>}	C(C[5]C[5,6a]N[5]C)(H)3	C(C[5]C[5,6a]N[5]C)(H)3	110.5150	0.281	2	111.1162	0.408	23	110.9489	0.549	27	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2	C(C[5]C[5,6a]N[5]C)(H)3	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(H)3	C(C[5]C[5,6a]N[5]C)(H)3	109.9870	0.566	4	109.9870	0.320	4	110.9489	0.549	27	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.4254	0.547	10	110.4254	0.299	10	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.3395	0.753	2	111.3395	0.567	2	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2{1|O<2>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.0995	0.899	2	111.0995	0.808	2	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6,6]O)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]O)2(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.7560	0.000	1	111.7560	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2{2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.2420	0.000	1	110.2420	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]O)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]O)2(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.2510	0.000	1	110.2510	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.3190	0.000	1	110.3190	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.0230	0.000	1	111.0230	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.3450	0.000	1	111.3450	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2{1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1080	0.000	1	110.1080	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.3325	0.928	2	111.2457	0.415	7	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|N<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.5640	0.000	1	111.2457	0.415	7	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.8730	0.000	1	111.2457	0.415	7	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{3|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.5393	0.614	3	111.2457	0.415	7	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2{2|C<4>,2|N<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.3950	0.000	1	110.3950	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5a]C[5])2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5a]C[5])2(CH3)2{2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.0550	0.453	2	111.0550	0.205	2	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2{1|N<2>,3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.2840	0.000	1	110.2840	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	112.8860	0.000	1	112.8860	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2{3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.6900	0.000	1	111.6900	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.4750	0.000	1	111.4750	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	112.4903	1.180	3	111.7923	1.319	7	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)2(CH3)2{1|Pd<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.2688	0.925	4	111.7923	1.319	7	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2{1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.6220	0.000	1	111.6220	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]O)2(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.2820	0.000	1	111.2820	0.000	1	111.0724	0.733	44	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.7957	0.509	3	111.7957	0.259	3	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.1461	0.630	13	111.0961	0.401	14	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|S<2>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.4460	0.000	1	111.0961	0.401	14	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2{1|C<4>,3|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8200	0.000	1	111.8200	0.000	1	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2{1|S<2>,2|H<1>,3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.6380	0.000	1	111.6380	0.000	1	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)2{1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.9260	0.051	2	111.9260	0.003	2	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<2>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.4535	0.626	2	111.0099	0.333	14	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.9138	0.585	11	111.0099	0.333	14	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.1800	0.000	1	111.0099	0.333	14	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(N[5]N[5]S)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]O)(N[5]N[5]S)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.9890	0.000	1	110.9890	0.000	1	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2{3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.8360	0.000	1	110.8360	0.000	1	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.9955	0.688	2	111.9955	0.473	2	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8110	0.000	1	111.8110	0.000	1	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.7830	0.000	1	111.7830	0.000	1	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2{1|C<3>,3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	113.5600	0.000	1	113.5600	0.000	1	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	116.2980	0.000	1	114.1955	8.841	2	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.0930	0.000	1	114.1955	8.841	2	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.3140	0.000	1	110.4006	3.820	5	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.5190	0.921	2	110.4006	3.820	5	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|H<1>,1|S<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.3255	1.056	2	110.4006	3.820	5	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8054	0.301	5	111.7739	0.204	10	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<4>,1|N<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.3440	0.000	1	111.7739	0.204	10	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|N<2>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8420	0.648	4	111.7739	0.204	10	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2{1|O<1>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.5420	0.000	1	110.5420	0.000	1	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2{1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.2705	1.418	2	112.2705	2.010	2	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)2{2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.4210	0.000	1	111.4210	0.000	1	111.4252	1.187	63	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,5,6]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5,6]C[5,5,6]2)(N[5]C[5]C)(CH3)2	C(C[5]N[5,5,6]N[5]C)(H)3	C(C[5]N[5,5,6]N[5]C)(H)3	C[5](N[5,5,6]C[5,5,6]2)(N[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,5,6]N[5]C)(H)3	C(C[5]N[5,5,6]N[5]C)(H)3	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2	C(C[5]N[5,5]N[5]C)(H)3	C(C[5]N[5,5]N[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]N[5,5]N[5]C)(H)3	C(C[5]N[5,5]N[5]C)(H)3	110.3940	0.000	1	110.3940	0.000	1	110.3940	0.000	1	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C(C[5]N[5,6a]C[5]C)(H)3	C(C[5]N[5,6a]C[5]C)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C(C[5]N[5,6a]C[5]C)(H)3	C(C[5]N[5,6a]C[5]C)(H)3	111.7003	0.583	3	111.7003	0.340	3	111.7003	0.340	3	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]Br)(C[5]N[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]Br)(C[5]N[5]O)(CH3)2{1|Br<1>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8860	0.206	3	111.8860	0.043	3	110.3962	10.108	5	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2{2|C<4>,3|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	104.7190	0.000	1	104.7190	0.000	1	110.3962	10.108	5	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.6040	0.000	1	111.6040	0.000	1	110.3962	10.108	5	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5](N[5]C[5,6a]H)2(CClHH)2	C(C[5]N[5]2C)(Cl)(H)2	C(C[5]N[5]2C)(Cl)(H)2	C[5](N[5]C[5,6a]H)2(CClHH)2{2|C<3>}	C(C[5]N[5]2C)(Cl)(H)2	C(C[5]N[5]2C)(Cl)(H)2	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6]C)2(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6]C)2(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	110.4910	0.000	1	110.4910	0.000	1	111.7477	1.408	7	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,6a]C)2(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6a]C)2(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	112.3140	0.000	1	112.3140	0.000	1	111.7477	1.408	7	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(N[5]C[5]O)(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CH3)2{1|Se<2>,2|C<4>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	110.4690	0.000	1	110.4690	0.000	1	111.7477	1.408	7	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)2(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)2(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	111.6860	0.000	1	111.6860	0.000	1	111.7477	1.408	7	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	111.1020	0.000	1	111.1020	0.000	1	111.7477	1.408	7	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2{1|C<4>,2|C<3>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	113.7610	0.000	1	113.0860	0.911	2	111.7477	1.408	7	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2{3|C<3>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	112.4110	0.000	1	113.0860	0.911	2	111.7477	1.408	7	110.9474	1.085	402	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:2:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)2(CHHO)(CH3)	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CHHO)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(H)3	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	110.8305	0.644	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:2:1:1:	4:1:1:1:	N[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3)	C(C[5]N[5,6]C[5]C)(OH)(H)2	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]C)(OH)(H)2	C(C[5]N[5,6]C[5]C)(H)3	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	110.8305	0.644	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:2:1:1:	4:2:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C-2:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CC)(H)2	C(C[5]C[5,6a]2C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CC)(H)2	C(C[5]C[5,6a]2C)(CC)(H)2	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	107.4220	20.327	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:2:1:1:	4:2:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2	C(C[5]C[5]N[5]C)(OC)(H)2	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2{3|H<1>}	C(C[5]C[5]N[5]C)(OC)(H)2	C(C[5]C[5]N[5]C)(OC)(H)2	104.2340	0.000	1	104.2340	0.000	1	104.2340	0.000	1	107.4220	20.327	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){1|B<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C(C[5]C[5,6a]C[5,6]C)(H)3	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5,6]C)(H)3	107.6660	0.000	1	107.6660	0.000	1	107.6660	0.000	1	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]2C)(H)3	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3)	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C(C[5]C[5,6a]C[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C(C[5]C[5,6a]C[5]C)(F)3	109.3270	0.140	2	109.3270	0.020	2	109.3270	0.020	2	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	107.9130	0.000	1	107.9130	0.000	1	108.4947	0.880	3	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	107.9940	0.000	1	107.9940	0.000	1	108.4947	0.880	3	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	109.5770	0.000	1	109.5770	0.000	1	108.4947	0.880	3	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C(C[5]C[5,6a]C[5]C)(H)3	109.6660	0.000	1	109.6660	0.000	1	109.6660	0.000	1	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	109.1380	0.454	2	109.1380	0.206	2	109.1380	0.206	2	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C(C[5]C[5,6a]N[5]C)(H)3	111.4625	0.207	2	111.4625	0.043	2	111.4625	0.043	2	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(H)3	108.2370	0.000	1	108.2370	0.000	1	109.1150	1.542	2	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	109.9930	0.000	1	109.9930	0.000	1	109.1150	1.542	2	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3)	C(C[5]N[5]2C)(CC[6a]N)(H)2	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	C(C[5]N[5]2C)(CC[6a]N)(H)2	C(C[5]N[5]2C)(H)3	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	109.4792	1.513	17	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:2:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:C-2:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C(C[5]C[5,6a]C[5]C)(CC)(H)2	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:2:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-2:C-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	C(C[5]C[5,6a]C[5]C)(CN)2(H)	111.5800	0.000	1	111.5800	0.000	1	110.4693	6.224	3	109.3870	8.835	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:2:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-2:C-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[5]C)(CN)2(H)	107.6120	0.000	1	107.6120	0.000	1	110.4693	6.224	3	109.3870	8.835	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:2:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-2:C-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(COS)(H)2	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(COS)(H)2	C(C[5]C[5,6a]C[5]C)(CN)2(H)	112.2160	0.000	1	112.2160	0.000	1	110.4693	6.224	3	109.3870	8.835	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:2:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C-2:C-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN)	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	C(C[5]C[5,6a]C[5]C)(CN)2(H)	106.1400	0.000	1	106.1400	0.000	1	106.1400	0.000	1	109.3870	8.835	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCH)(H)2	C(C[5]C[5,6a]2C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCH)(H)2	C(C[5]C[5,6a]2C)(CCH)(H)2	109.7080	0.000	1	109.7080	0.000	1	109.9013	0.955	3	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCH)(H)2	C(C[5]C[5,6a]2C)(CCP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCH)(H)2	C(C[5]C[5,6a]2C)(CCP)(H)2	109.9980	1.362	2	109.9980	1.855	2	109.9013	0.955	3	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6]HH)2	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6]HH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	105.2160	0.000	1	105.2160	0.000	1	105.2160	0.000	1	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	111.5740	0.000	1	111.5740	0.000	1	107.2347	14.179	3	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	105.0650	0.335	2	105.0650	0.112	2	107.2347	14.179	3	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:C[5a]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	106.3515	0.090	2	106.3515	0.008	2	106.3515	0.008	2	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	110.8695	0.404	6	110.8695	0.163	6	110.0809	0.834	15	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	110.9530	0.000	1	110.9530	0.000	1	110.0809	0.834	15	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	109.4657	0.649	3	109.4657	0.421	3	110.0809	0.834	15	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	109.7080	0.492	3	109.7080	0.242	3	110.0809	0.834	15	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	108.7610	0.000	2	108.7610	0.000	2	110.0809	0.834	15	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	111.0440	0.000	1	111.0440	0.000	1	110.2455	1.275	2	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	109.4470	0.000	1	109.4470	0.000	1	110.2455	1.275	2	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]C[5,6a]O)2(CCHH)2	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5,6a]O)2(CCHH)2{2|C<3>}	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(CCC)(H)2	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	N[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2	C(C[5]N[5,6]C[5]C)(COO)(H)2	C(C[5]N[5,6]C[5]C)(COO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	C(C[5]N[5,6]C[5]C)(COO)(H)2	C(C[5]N[5,6]C[5]C)(COO)(H)2	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	109.2151	3.822	28	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:3:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:C-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]2C)2(H)2	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	107.9135	6.011	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	107.1070	0.000	1	107.1070	0.000	1	107.1070	0.000	1	107.9135	6.011	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:4:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	C(C[5]C[5]2C)(CC[5a]O)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]2C)(CC[5a]O)(H)2	C(C[5]C[5]2C)(CH3)(H)2	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.9135	6.011	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:1:1:	4:4:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2	C(C[5]C[5]N[5]C)(CCH)(H)2	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2{1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(CCH)(H)2	C(C[5]C[5]N[5]C)(CH3)(H)2	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	107.9135	6.011	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:2:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C(C[5]C[5]N[5]C)(H)3	111.3690	0.000	1	111.3690	0.000	1	112.8118	1.633	6	112.8118	1.633	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:2:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){2|C<4>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	113.1004	1.191	5	113.1004	1.417	5	112.8118	1.633	6	112.8118	1.633	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:3:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C(C[5]C[5,6a]C[5]C)(H)3	109.4950	0.348	2	109.4950	0.121	2	109.6757	0.158	3	110.1875	1.154	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:3:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C(C[5]C[5,6a]C[5]C)(H)3	110.0370	0.000	1	110.0370	0.000	1	109.6757	0.158	3	110.1875	1.154	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:3:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C(C[5]C[5]N[5]C)(H)3	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	110.1875	1.154	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:3:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:4:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C(C[5]C[5,6a]C[5]C)(H)3	113.3100	0.000	1	113.3100	0.000	1	111.3993	3.166	3	111.3993	3.166	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:4:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5,6a]C[5]C)(H)3	110.4440	0.925	2	110.4440	0.855	2	111.3993	3.166	3	111.3993	3.166	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:4:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:4:1:	4:4:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	C(C[5]C[5]N[5]C)(CH3)2(H)	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:4:3:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(CNO)	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(CNO)	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:4:3:	4:4:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(COO)	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(COO)	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	112.8570	0.000	2	112.8570	0.000	2	112.8570	0.000	2	112.8570	0.000	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:3:4:4:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	114.5165	0.643	2	114.5165	0.413	2	114.5165	0.413	2	114.5165	0.413	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)(H)3	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH)	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C(C[5]C[5,6a]2C)(Cl)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C(C[5]C[5,6a]2C)(Cl)(H)2	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3)	C(C[5]C[5,6a]2C)2(H)2	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)2(H)2	C(C[5]C[5,6a]2C)(H)3	106.8835	0.324	6	106.8835	0.105	6	106.8835	0.105	6	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	113.5900	0.000	1	113.5900	0.000	1	109.7527	3.930	17	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	110.7230	3.997	2	110.7230	15.973	2	109.7527	3.930	17	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	106.9900	0.000	1	106.9900	0.000	1	109.7527	3.930	17	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	108.1857	0.241	3	108.1857	0.058	3	109.7527	3.930	17	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	110.1080	0.000	1	110.1080	0.000	1	109.7527	3.930	17	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	109.2150	0.000	1	109.2150	0.000	1	109.7527	3.930	17	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	109.9862	1.431	8	109.9862	2.047	8	109.7527	3.930	17	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:P-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	106.7960	0.000	1	106.7960	0.000	1	106.9055	0.024	2	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	107.0150	0.000	1	107.0150	0.000	1	106.9055	0.024	2	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(H)3	108.5750	0.000	1	108.5750	0.000	1	110.3510	1.335	6	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)2(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	111.1150	0.000	1	111.1150	0.000	1	110.3510	1.335	6	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(H)3	110.6040	0.945	4	110.6040	0.894	4	110.3510	1.335	6	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(H)3	113.1760	0.000	1	113.1760	0.000	1	111.4445	5.996	2	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CHHS)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3){2|C<4>}	C(C[5]C[5]N[5]C)(CHHS)(H)2	C(C[5]C[5]N[5]C)(H)3	109.7130	0.000	1	109.7130	0.000	1	111.4445	5.996	2	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3)	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3){5|C<3>}	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	C(C[5]N[5]2C)(H)3	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3)	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3){5|C<3>}	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	C(C[5]N[5]2C)(H)3	110.1180	0.571	2	110.1180	0.326	2	110.1180	0.326	2	109.2522	3.871	39	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:2:1:1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-2:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2{1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6a]N[5]C)(CC)(H)2	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C(C[5]C[5,6]C[5]C)(CCC)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C(C[5]C[5,6]C[5]C)(CCC)(H)2	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	107.5273	5.780	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCO)(H)2	106.0050	0.000	1	106.0050	0.000	1	106.0050	0.000	1	107.5273	5.780	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	106.2780	0.000	1	106.2780	0.000	1	106.2780	0.000	1	107.5273	5.780	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:3:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C(C[5]C[5,6a]C[5]C)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C(C[5]C[5,6a]C[5]C)(COO)2(H)	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,5a]C[5,5a]C[5a])2(CCHH)2	C(C[5]C[5,5a]2C)(CH3)(H)2	C(C[5]C[5,5a]2C)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])2(CCHH)2{2|C<3>,2|H<1>,2|S<2>}	C(C[5]C[5,5a]2C)(CH3)(H)2	C(C[5]C[5,5a]2C)(CH3)(H)2	110.0700	0.753	3	110.0700	0.568	3	110.0700	0.568	3	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	109.5790	0.849	2	109.3530	0.264	6	109.9510	1.899	8	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|S<2>,2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	109.2400	0.385	4	109.3530	0.264	6	109.9510	1.899	8	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,4|C<3>}	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	111.7450	1.841	2	111.7450	3.390	2	109.9510	1.899	8	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5,6]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])2(CCHH)2	C(C[5]C[5,6]2C)(CH3)(H)2	C(C[5]C[5,6]2C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])2(CCHH)2{2|C<3>,2|H<1>,2|N<3>}	C(C[5]C[5,6]2C)(CH3)(H)2	C(C[5]C[5,6]2C)(CH3)(H)2	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2{1|C<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	103.5590	0.000	1	103.5590	0.000	1	103.5590	0.000	1	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	112.3285	0.852	4	112.3285	0.726	4	109.3269	2.001	99	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)(CH3)(H)2	109.9625	0.202	2	110.5893	0.442	10	109.3269	2.001	99	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)(CH3)(H)2	110.7460	0.650	8	110.5893	0.442	10	109.3269	2.001	99	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCCH)(H)2	C(C[5]C[5,6a]2C)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCCH)(H)2	C(C[5]C[5,6a]2C)(CCCH)(H)2	109.4650	0.000	1	109.4650	0.000	1	109.3269	2.001	99	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	108.7382	1.147	49	108.7382	1.316	49	109.3269	2.001	99	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)(CH3)(H)2	109.1770	1.054	29	109.1770	1.111	29	109.3269	2.001	99	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C(C[5]C[5,6a]2C)(CHHO)(H)2	C(C[5]C[5,6a]2C)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CHHO)(H)2	C(C[5]C[5,6a]2C)(CHHO)(H)2	107.9180	0.000	1	107.9180	0.000	1	109.3269	2.001	99	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)(CH3)(H)2	111.2936	1.088	5	111.2936	1.185	5	109.3269	2.001	99	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(C[5]C[5,6a]2C)2(H)2	106.9835	0.418	2	106.9835	0.175	2	106.3287	1.374	3	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH)	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CH3)(H)2	C(C[5]C[5,6a]2C)2(H)2	105.0190	0.000	1	105.0190	0.000	1	106.3287	1.374	3	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C(C[5]C[5,6a]2C)2(H)2	106.5490	0.000	1	106.5490	0.000	1	105.3927	1.395	3	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	C(C[5]C[5,6a]2C)2(H)2	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)2(H)2	C(C[5]C[5,6a]2C)2(H)2	105.4410	0.000	1	105.4410	0.000	1	105.3927	1.395	3	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C(C[5]C[5,6a]2C)2(H)2	104.1880	0.000	1	104.1880	0.000	1	105.3927	1.395	3	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	111.0355	1.216	2	111.0355	1.477	2	111.0355	1.477	2	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	110.2925	3.009	2	110.2925	9.053	2	110.4344	3.520	5	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2{1|Fe<5>,1|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	111.2080	1.481	2	111.2080	2.192	2	110.4344	3.520	5	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2{1|H<1>,2|C<3>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	109.1710	0.000	1	109.1710	0.000	1	110.4344	3.520	5	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2{1|C<4>,3|H<1>}	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(CH3)(H)2	108.7420	0.187	2	108.7420	0.035	2	112.9552	8.729	9	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|C<4>,1|N<2>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	115.7370	0.000	1	114.0080	4.639	6	112.9552	8.729	9	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	114.6430	0.351	4	114.0080	4.639	6	112.9552	8.729	9	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	109.7390	0.000	1	114.0080	4.639	6	112.9552	8.729	9	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]N[5]S)(N[5]C[5]H)(CCHH)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]S)(N[5]C[5]H)(CCHH)2{1|H<1>,1|S<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	115.0650	0.000	1	115.0650	0.000	1	112.9552	8.729	9	109.4987	4.054	135	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:2:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	C(C[5]C[5]2C)(CCCH)(OH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	C(C[5]C[5]2C)(CCCH)(OH)(H)	C(C[5]C[5]2C)(H)3	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	111.7467	4.123	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:2:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	113.2550	0.000	1	112.9010	0.251	2	112.9010	0.251	2	111.7467	4.123	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:2:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	112.5470	0.000	1	112.9010	0.251	2	112.9010	0.251	2	111.7467	4.123	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:2:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:3:1:	3:4:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	111.1305	0.449	4	111.1305	0.201	4	111.1305	0.201	4	111.1305	0.201	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:3:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(CH3)(CCH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CH3)(CCH)(H)	C(C[5]C[5]2C)(H)3	110.5890	0.000	1	110.5890	0.000	1	109.8960	0.960	2	110.5940	1.942	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:3:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(CF3)(CCH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C(C[5]C[5]2C)(CF3)(CCH)(H)	C(C[5]C[5]2C)(H)3	109.2030	0.000	1	109.2030	0.000	1	109.8960	0.960	2	110.5940	1.942	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:3:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C(C[5]C[5]N[5]C)(H)3	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	110.5940	1.942	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(C[5]C[5]2C)(H)3	109.8160	1.754	2	109.8160	3.075	2	109.8160	3.075	2	111.8421	3.046	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	111.5940	0.000	1	111.6780	2.800	5	111.6780	2.800	5	111.8421	3.046	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Co<6>,1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	110.5460	2.270	2	111.6780	2.800	5	111.6780	2.800	5	111.8421	3.046	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Mn<6>,1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C(C[5]C[5]N[5]C)(H)3	112.8520	0.849	2	111.6780	2.800	5	111.6780	2.800	5	111.8421	3.046	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	C(C[5]N[5]2C)(CH3)2(H)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]N[5]2C)(CH3)2(H)	C(C[5]N[5]2C)(H)3	111.9300	0.000	1	113.0602	0.635	4	113.0602	0.635	4	111.8421	3.046	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	C(C[5]N[5]2C)(CH3)2(H)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|C<3>,1|O<1>}	C(C[5]N[5]2C)(CH3)2(H)	C(C[5]N[5]2C)(H)3	113.5640	0.000	1	113.0602	0.635	4	113.0602	0.635	4	111.8421	3.046	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	C(C[5]N[5]2C)(CH3)2(H)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|H<1>,1|O<1>}	C(C[5]N[5]2C)(CH3)2(H)	C(C[5]N[5]2C)(H)3	113.6720	0.000	1	113.0602	0.635	4	113.0602	0.635	4	111.8421	3.046	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	C(C[5]N[5]2C)(CH3)2(H)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|O<1>,2|H<1>}	C(C[5]N[5]2C)(CH3)2(H)	C(C[5]N[5]2C)(H)3	113.0750	0.000	1	113.0602	0.635	4	113.0602	0.635	4	111.8421	3.046	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:1:	4:4:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]N[5]O)2(CCCH)(CCHH)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]N[5]O)2(CCCH)(CCHH){2|C<3>}	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(C[5]C[5]2C)(CCHH)(H)2	111.1560	0.000	1	111.1560	0.000	1	111.1560	0.000	1	111.1560	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:3:4:4:	4:4:4:3:	4:2:1:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:C-3:	C[5]-4:C-2:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3)	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	C(C[5]C[5,6a]C[5]C)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	C(C[5]C[5,6a]C[5]C)(CN)(H)2	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	3:4:3:1:	4:1:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C(C[5]C[5]O[5]C)(H)3	113.7880	0.000	1	113.7880	0.000	1	113.7880	0.000	1	113.7880	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	3:4:4:1:	4:1:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C(C[5]C[5]O[5]C)(H)3	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:1:1:	4:4:3:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH){1|C<4>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	111.3450	0.194	2	111.3450	0.038	2	111.3450	0.038	2	111.3450	0.038	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:2:1:	4:1:1:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C(C[5]C[5]N[5]C)(H)3	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:3:1:	4:1:1:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C(C[5]C[5]N[5]C)(H)3	110.2060	0.000	1	110.2060	0.000	1	111.2170	2.044	2	112.6158	3.319	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:3:1:	4:1:1:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C(C[5]C[5]N[5]C)(H)3	112.2280	0.000	1	112.2280	0.000	1	111.2170	2.044	2	112.6158	3.319	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:3:1:	4:1:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C(C[5]C[5]O[5]C)(H)3	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	112.6158	3.319	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:3:1:	4:1:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C(C[5]C[5]O[5]C)(H)3	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	112.6158	3.319	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:3:1:	4:4:4:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	C(C[5]C[5]N[5]C)(CH3)2(H)	113.5310	0.000	1	113.5310	0.000	1	113.5310	0.000	1	112.8818	0.258	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:3:1:	4:4:4:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C(C[5]C[5]N[5]C)(CH3)2(H)	112.8149	0.514	8	112.8149	0.264	8	112.8097	0.231	9	112.8818	0.258	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:3:1:	4:4:4:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|S<2>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C(C[5]C[5]N[5]C)(CH3)2(H)	112.7680	0.000	1	112.7680	0.000	1	112.8097	0.231	9	112.8818	0.258	10	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:4:1:	4:1:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]O[5]C)(H)3	112.0190	0.000	1	112.0190	0.000	1	112.3817	0.519	7	112.3619	0.448	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:4:1:	4:1:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5]O[5]C)(H)3	112.9670	0.000	1	112.0763	0.450	4	112.3817	0.519	7	112.3619	0.448	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:4:1:	4:1:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(C[5]C[5]O[5]C)(H)3	111.7793	0.382	3	112.0763	0.450	4	112.3817	0.519	7	112.3619	0.448	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:4:1:	4:1:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C(C[5]C[5]O[5]C)(H)3	113.1370	0.000	1	113.1370	0.000	1	112.3817	0.519	7	112.3619	0.448	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:4:1:	4:1:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]O[5]C)(H)3	113.2110	0.000	1	113.2110	0.000	1	112.3817	0.519	7	112.3619	0.448	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:4:1:	4:1:1:1:	C[5]-3:C-4:S[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3)	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]S[5]C)(H)3	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	112.3619	0.448	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:2:4:	4:3:4:1:	4:4:1:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]O[5]C)(CCHH)(H)2	113.6835	1.462	2	113.6835	2.136	2	113.6835	2.136	2	113.6835	2.136	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:2:	4:3:1:1:	4:3:1:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5]){1|C<3>,1|N<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	110.5315	11.689	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:2:	4:3:1:1:	4:3:1:1:	C[5]-3:C-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5])	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5]){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	112.9490	0.000	1	112.9490	0.000	1	112.9490	0.000	1	110.5315	11.689	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:2:	4:3:2:1:	4:3:1:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	111.2750	0.000	1	111.2750	0.000	1	111.2750	0.000	1	111.2750	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:2:	4:3:4:1:	4:3:1:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	110.4045	0.711	2	110.4045	0.505	2	110.7900	0.698	3	110.7900	0.698	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:2:	4:3:4:1:	4:3:1:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|O<2>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	111.5610	0.000	1	111.5610	0.000	1	110.7900	0.698	3	110.7900	0.698	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	110.3125	2.579	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	110.3125	2.579	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	3:4:2:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3){2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C(C[5]C[5]2C)(H)3	108.6315	0.088	2	108.6315	0.008	2	108.6315	0.008	2	108.6315	0.008	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	106.7720	0.000	1	106.7720	0.000	1	106.7720	0.000	1	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.9520	0.000	1	109.8125	0.039	2	109.8125	0.039	2	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.6730	0.000	1	109.8125	0.039	2	109.8125	0.039	2	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,5a]C[5,6]C)(H)3	C(C[5]C[5,5a]C[5,6]C)(H)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>}	C(C[5]C[5,5a]C[5,6]C)(H)3	C(C[5]C[5,5a]C[5,6]C)(H)3	109.9210	0.000	1	109.9210	0.000	1	109.9210	0.000	1	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)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>}	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)3	110.3070	0.000	1	110.3070	0.000	1	109.3345	0.891	4	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)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>}	C(C[5]C[5,5a]C[5]C)(H)3	C(C[5]C[5,5a]C[5]C)(H)3	109.0103	0.840	3	109.0103	0.706	3	109.3345	0.891	4	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.8120	0.000	1	109.3004	0.211	7	109.6833	0.909	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.2152	0.439	6	109.3004	0.211	7	109.6833	0.909	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	110.3905	0.579	2	110.3905	0.335	2	109.6833	0.909	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]CC)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]CC)(CH3)2{1|B<4>,1|C<3>,1|N<2>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.1430	0.533	2	109.1430	0.284	2	109.6833	0.909	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	112.0290	0.000	1	112.0290	0.000	1	109.6833	0.909	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]P[3,5]C[3]H)(CH3)2	C(C[5]C[5,6a]C[3,5]C)(H)3	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]P[3,5]C[3]H)(CH3)2{1|Au<2>,1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[3,5]C)(H)3	C(C[5]C[5,6a]C[3,5]C)(H)3	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C(C[5]C[5,6a]C[5,5]C)(H)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>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C(C[5]C[5,6a]C[5,5]C)(H)3	110.0433	0.501	13	110.0433	0.251	13	110.0305	0.278	17	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CH3)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C(C[5]C[5,6a]C[5,5]C)(H)3	110.4170	0.000	1	110.4170	0.000	1	110.0305	0.278	17	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C(C[5]C[5,6a]C[5,5]C)(H)3	109.8460	0.770	3	109.8460	0.592	3	110.0305	0.278	17	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)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>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	110.3425	0.203	2	109.9488	0.267	4	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)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>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	109.8180	0.000	1	109.9488	0.267	4	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	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>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	109.2920	0.000	1	109.9488	0.267	4	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(CH3)2{3|O<1>,4|N<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	109.2300	0.000	1	109.2300	0.000	1	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	109.4800	0.312	6	109.1659	3.282	55	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	108.9434	0.550	5	109.1659	3.282	55	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	109.4528	0.611	4	109.1659	3.282	55	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	109.6508	0.446	9	109.1659	3.282	55	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	108.7720	2.536	26	109.1659	3.282	55	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	109.0980	0.000	1	109.1659	3.282	55	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	110.2100	0.154	2	109.1659	3.282	55	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	110.1340	0.774	2	109.1659	3.282	55	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	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>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	110.6080	0.000	1	110.6080	0.000	1	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)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>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	111.4820	0.000	1	111.4820	0.000	1	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	109.5943	0.543	4	109.5704	0.224	5	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C(C[5]C[5,6a]C[5,6]C)(H)3	109.4750	0.000	1	109.5704	0.224	5	109.2999	2.855	67	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.9160	0.000	1	109.9160	0.000	1	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.2535	0.037	2	109.3756	0.564	29	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.2580	0.741	25	109.3756	0.564	29	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.9670	0.011	2	109.3756	0.564	29	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	107.4930	0.000	1	108.1510	0.866	2	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	108.8090	0.000	1	108.1510	0.866	2	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	108.6070	0.000	1	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.4845	0.200	4	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.8990	0.257	2	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	108.6347	0.656	3	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.3643	0.471	3	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.5184	0.574	10	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	108.8270	0.696	2	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.7660	0.000	1	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	108.1455	0.739	2	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.7780	0.277	2	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	108.3600	0.000	1	109.2629	0.445	31	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	111.0190	0.000	1	111.0190	0.000	1	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.7610	0.000	1	109.7610	0.000	1	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.2330	0.000	1	110.2330	0.000	1	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.1550	1.960	2	110.1550	3.842	2	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.7135	0.698	2	110.7135	0.487	2	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	107.5520	0.796	3	108.5033	1.463	6	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.5950	0.000	1	108.5033	1.463	6	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	109.9270	0.000	1	108.5033	1.463	6	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	108.8420	0.000	1	108.5033	1.463	6	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	110.1810	0.120	2	110.1810	0.014	2	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(H)3	111.2780	0.246	2	111.2780	0.061	2	109.3994	0.846	80	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:Si[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2	C(C[5]C[5,6a]Si[5,5]C)(H)3	C(C[5]C[5,6a]Si[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2{1|N<2>,2|H<1>,3|C<3>,4|C<4>}	C(C[5]C[5,6a]Si[5,5]C)(H)3	C(C[5]C[5,6a]Si[5,5]C)(H)3	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.2570	0.000	1	109.0337	0.222	3	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.9220	0.608	2	109.0337	0.222	3	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3410	0.000	1	108.4885	1.454	2	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.6360	0.000	1	108.4885	1.454	2	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7350	0.320	2	109.1970	0.919	3	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.1210	0.000	1	109.1970	0.919	3	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2{1|C<4>,4|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3940	0.000	1	109.3940	0.000	1	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.9500	0.492	19	110.8022	0.301	24	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<2>,3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1470	0.376	2	110.8022	0.301	24	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<3>,3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.3030	0.446	3	110.8022	0.301	24	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	106.4680	0.000	1	108.9403	1.723	12	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|N<3>,4|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.8938	0.346	6	108.9403	1.723	12	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.2906	1.081	5	108.9403	1.723	12	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.9680	0.000	1	110.9680	0.000	1	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2{1|Ir<6>,3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.2440	0.000	1	108.2440	0.000	1	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|H<1>,3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.4930	0.000	1	108.4930	0.000	1	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.4860	0.000	1	110.1333	0.398	9	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.5853	0.119	4	110.1333	0.398	9	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.4280	0.000	1	110.1333	0.398	9	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3150	0.232	3	110.1333	0.398	9	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{1|S<4>,2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.4630	1.027	2	110.3332	0.791	5	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.2467	1.013	3	110.3332	0.791	5	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2{3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1540	0.000	1	110.1540	0.000	1	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.8378	0.438	5	110.8378	0.192	5	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.0510	0.000	1	109.0510	0.000	1	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,4|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.8950	0.000	1	109.8950	0.000	1	110.0209	1.257	70	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	C(C[5]C[5,5,6]N[5,5]C)(F)3	C(C[5]C[5,5,6]N[5,5]C)(F)3	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>}	C(C[5]C[5,5,6]N[5,5]C)(F)3	C(C[5]C[5,5,6]N[5,5]C)(F)3	110.1865	0.070	2	109.7175	0.299	4	109.7175	0.299	4	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	C(C[5]C[5,5,6]N[5,5]C)(F)3	C(C[5]C[5,5,6]N[5,5]C)(F)3	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>}	C(C[5]C[5,5,6]N[5,5]C)(F)3	C(C[5]C[5,5,6]N[5,5]C)(F)3	109.2485	0.115	2	109.7175	0.299	4	109.7175	0.299	4	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)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>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	109.6330	0.000	1	110.4483	0.377	4	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)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>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	110.7200	0.349	3	110.4483	0.377	4	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)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>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	112.4425	0.709	2	112.5670	1.142	26	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)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>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	113.1304	0.640	8	112.5670	1.142	26	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)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>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	112.3009	1.196	16	112.5670	1.142	26	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	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>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	109.9565	0.247	2	109.9565	0.061	2	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	109.4485	0.736	6	109.4485	0.541	6	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	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>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	110.8420	0.284	4	110.8420	0.081	4	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(CH3)2{2|C<3>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	112.7980	0.000	1	112.7980	0.000	1	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	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>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	107.5520	0.000	1	107.5520	0.000	1	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	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>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	109.5097	0.887	3	110.5008	1.533	6	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,2|O<1>}	C(C[5]N[5,5]C[5]C)(H)3	C(C[5]N[5,5]C[5]C)(H)3	111.4920	0.316	3	110.5008	1.533	6	111.4372	2.636	50	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,6,6a]C[5]C)(H)3	C(C[5]N[5,6,6a]C[5]C)(H)3	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>}	C(C[5]N[5,6,6a]C[5]C)(H)3	C(C[5]N[5,6,6a]C[5]C)(H)3	111.5470	1.125	6	111.5470	1.266	6	111.5470	1.266	6	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]B[5a,6]C[5,6])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)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>}	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	111.4875	0.370	2	111.4875	0.137	2	110.0495	4.335	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[3x6]C[5,6])(C[5]C[5]HH)(CH3)2	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[3x6]C[5,6])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	107.8100	0.429	2	107.8100	0.184	2	110.0495	4.335	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)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>}	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	111.6770	0.225	2	111.6770	0.051	2	110.0495	4.335	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	111.5875	0.183	2	111.5875	0.034	2	110.0495	4.335	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(CH3)2	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	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>}	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	105.7100	0.000	1	105.7100	0.000	1	110.0495	4.335	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)2	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	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>}	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	108.3540	0.000	1	108.3540	0.000	1	110.0495	4.335	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	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>}	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	111.2170	0.000	1	110.7030	0.528	2	110.0495	4.335	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	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>}	C(C[5]N[5,6]C[5]C)(H)3	C(C[5]N[5,6]C[5]C)(H)3	110.1890	0.000	1	110.7030	0.528	2	110.0495	4.335	12	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,6a]C[5]C)(H)3	C(C[5]N[5,6a]C[5]C)(H)3	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>}	C(C[5]N[5,6a]C[5]C)(H)3	C(C[5]N[5,6a]C[5]C)(H)3	111.8473	0.489	4	111.8473	0.239	4	111.8473	0.239	4	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[4,5]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.5550	0.000	1	107.5550	0.000	1	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	106.9040	0.000	1	106.9040	0.000	1	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	106.9540	0.000	1	106.9540	0.000	1	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.8040	0.000	1	110.8040	0.000	1	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.7410	0.000	1	109.9670	3.781	3	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2{2|H<1>,4|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.0800	0.359	2	109.9670	3.781	3	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.7410	0.000	1	109.7410	0.000	1	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.5385	0.921	2	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.2060	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.9300	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.1380	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.8420	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.6685	0.635	4	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.6970	0.769	2	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.9230	0.391	3	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	105.9960	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	106.6810	0.594	2	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.8730	0.502	2	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.1790	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.7610	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.5555	0.415	2	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.7110	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.0955	1.752	4	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.8020	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.8980	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.8895	0.646	2	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.9110	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.6190	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.9480	0.981	2	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.6140	0.000	1	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<4>,3|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.4145	0.751	8	108.3068	1.028	46	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.8710	0.673	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.0295	0.726	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.8090	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.8475	0.930	4	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.7320	0.515	3	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.0230	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.5133	0.543	3	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.9538	1.092	32	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.8860	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	106.9380	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.5429	0.694	16	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.4510	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.6328	0.837	4	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.4497	0.151	3	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.0774	0.821	8	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.1295	0.538	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.3790	0.000	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.5935	0.351	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.4620	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.5830	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.1310	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.5305	1.368	6	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.1560	0.751	7	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.4900	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	106.5361	0.685	7	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.6865	0.339	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.1520	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.6560	0.177	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	105.9760	0.612	3	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.7795	0.496	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.4740	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.0945	0.204	4	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.3420	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.2010	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.8430	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.9250	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ni<5>,2|C<3>,3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.6910	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.7950	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|P<2>,2|C<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.8230	0.815	5	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|P<4>,2|C<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.0580	0.527	6	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.0304	0.433	5	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.0160	0.434	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.6445	0.190	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.7511	0.778	7	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.8290	0.380	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.8786	0.821	11	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.7140	0.000	1	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.8285	3.256	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.4025	0.779	2	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	106.8786	0.359	5	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.3413	1.059	12	108.1271	1.052	195	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|C<4>,2|N<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.9100	0.823	2	111.9100	0.677	2	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.6360	0.000	1	110.6360	0.000	1	108.2271	1.257	252	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3)	C(C[5]C[5]N[5]C)(H)2(I)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)2(I)	C(C[5]C[5]N[5]C)(H)3	112.0600	0.000	1	112.0600	0.000	1	112.0600	0.000	1	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]B[5,5]Mg)(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5]Mg)(C[5]O[5]CC)(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.2400	0.000	1	110.0235	0.259	6	110.0235	0.259	6	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](O[5]B[5,5]Mg)(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5]Mg)(C[5]O[5]CC)(CH3)2{1|O<2>,1|O<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.1802	0.374	5	110.0235	0.259	6	110.0235	0.259	6	109.2184	2.555	591	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3)	C(C[5]C[5,6]C[5]C)(OC)(H)2	C(C[5]C[5,6]C[5]C)(H)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>}	C(C[5]C[5,6]C[5]C)(OC)(H)2	C(C[5]C[5,6]C[5]C)(H)3	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	110.6705	2.804	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	110.6705	2.804	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	C(C[5]N[5,5]C[5]C)(OC)(H)2	C(C[5]N[5,5]C[5]C)(H)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>}	C(C[5]N[5,5]C[5]C)(OC)(H)2	C(C[5]N[5,5]C[5]C)(H)3	112.2560	0.000	1	110.2845	7.774	2	110.2845	7.774	2	110.6705	2.804	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	C(C[5]N[5,5]C[5]C)(OC)(H)2	C(C[5]N[5,5]C[5]C)(H)3	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>}	C(C[5]N[5,5]C[5]C)(OC)(H)2	C(C[5]N[5,5]C[5]C)(H)3	108.3130	0.000	1	110.2845	7.774	2	110.2845	7.774	2	110.6705	2.804	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:2:1:1:	4:2:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2{2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C(C[5]C[5,6a]C[5]C)(OH)(H)2	111.0500	0.161	2	111.0500	0.026	2	111.0500	0.026	2	111.0500	0.026	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	109.1570	0.000	1	109.1570	0.000	1	109.6192	1.029	4	110.3766	1.431	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	111.1360	0.000	1	111.1360	0.000	1	109.6192	1.029	4	110.3766	1.431	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	109.1860	0.000	1	109.1860	0.000	1	109.6192	1.029	4	110.3766	1.431	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	108.9980	0.000	1	108.9980	0.000	1	109.6192	1.029	4	110.3766	1.431	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	111.6280	0.000	1	111.6280	0.000	1	111.6280	0.000	1	110.3766	1.431	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3){3|C<3>}	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	111.2655	0.237	2	111.2655	0.056	2	111.2655	0.056	2	110.3766	1.431	7	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:1:1:	4:2:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO)	C(C[5]C[5,6a]C[5]C)(NCC)(H)2	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(NCC)(H)2	C(C[5]C[5,6a]C[5]C)(OH)(H)2	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C(C[5]C[5,6a]C[5]C)(H)3	112.0320	0.000	1	112.0320	0.000	1	112.0320	0.000	1	112.3325	0.181	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C(C[5]C[5,6a]C[5]C)(H)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>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C(C[5]C[5,6a]C[5]C)(H)3	112.6330	0.000	1	112.6330	0.000	1	112.6330	0.000	1	112.3325	0.181	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:3:3:1:	4:3:2:1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	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>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3)	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]C)(H)3	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	110.6923	7.228	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C(C[5]C[5,6a]C[5]C)(H)3	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	110.6923	7.228	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3)	C(C[5]C[5]2C)(CHOO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5]2C)(CHOO)(H)2	C(C[5]C[5]2C)(H)3	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	110.6923	7.228	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	109.6390	1.188	4	108.9768	1.322	12	109.2967	1.790	14	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	108.5920	0.222	2	108.9768	1.322	12	109.2967	1.790	14	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	110.1395	0.541	2	108.9768	1.322	12	109.2967	1.790	14	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	107.4825	0.073	2	108.9768	1.322	12	109.2967	1.790	14	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	108.3690	0.031	2	108.9768	1.322	12	109.2967	1.790	14	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	111.2160	0.371	2	111.2160	0.137	2	109.2967	1.790	14	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	110.3162	0.477	4	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.4960	0.912	5	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	110.2158	0.843	6	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.7782	0.785	13	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.8130	1.478	2	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.8417	0.773	6	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	110.7138	0.877	6	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.5030	1.099	77	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.7695	0.206	2	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	110.2600	0.223	2	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.7165	0.415	2	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.7028	1.114	24	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.8120	0.023	2	109.6943	1.053	151	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	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>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	109.6860	0.000	1	109.6860	0.000	1	109.6942	1.046	152	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:N[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	110.8405	0.472	2	110.8405	0.222	2	110.8405	0.222	2	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	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>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	108.2145	1.071	2	107.7417	1.245	3	109.2544	2.991	7	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	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>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	106.7960	0.000	1	107.7417	1.245	3	109.2544	2.991	7	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	109.9007	0.540	3	109.9007	0.291	3	109.2544	2.991	7	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	111.8540	0.000	1	111.8540	0.000	1	109.2544	2.991	7	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,5,6]-3:C[5,6]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	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	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	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>}	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	111.4750	0.000	1	111.4750	0.000	1	111.4750	0.000	1	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	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>}	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	116.3185	0.159	2	116.4680	0.249	4	116.4680	0.249	4	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	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>}	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	116.6175	0.795	2	116.4680	0.249	4	116.4680	0.249	4	109.8193	2.180	180	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C(C[5]C[5,6]C[5]C)(H)3	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3)	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3){2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(C[5]C[5,6]C[5]C)(H)3	110.5445	0.691	2	110.5445	0.477	2	110.5445	0.477	2	110.5445	0.477	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	3:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN)	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:2:4:	3:4:1:1:	4:1:1:1:	C-4:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](CC[6a]HH)(O[5]C[5])2(CH3)	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	C(C[5]O[5]2C)(H)3	C[5](CC[6a]HH)(O[5]C[5])2(CH3){4|H<1>}	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	C(C[5]O[5]2C)(H)3	115.3257	4.426	4	115.3257	19.589	4	115.3257	19.589	4	115.3257	19.589	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C-4:O[5]-2:O[5]-2:C-4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](CC[3,5]HH)(O[5]C[5])2(CH3)	C(C[3,5]C[3,5]C[3]C[5])(C[5]O[5]2C)(H)2	C(C[5]O[5]2C)(H)3	C[5](CC[3,5]HH)(O[5]C[5])2(CH3){4|H<1>}	C(C[3,5]C[3,5]C[3]C[5])(C[5]O[5]2C)(H)2	C(C[5]O[5]2C)(H)3	113.8920	0.000	2	113.8920	0.000	2	113.8920	0.000	2	113.8920	0.000	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2	C(C[5]C[3,5]O[5]C)(H)3	C(C[5]C[3,5]O[5]C)(H)3	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[3,5]O[5]C)(H)3	C(C[5]C[3,5]O[5]C)(H)3	111.4170	0.000	1	111.4170	0.000	1	111.4170	0.000	1	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2	C(C[5]C[4,5,5]O[5]C)(H)3	C(C[5]C[4,5,5]O[5]C)(H)3	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,4|C<4>}	C(C[5]C[4,5,5]O[5]C)(H)3	C(C[5]C[4,5,5]O[5]C)(H)3	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2	C(C[5]C[4,5,6,6]O[5]C)(H)3	C(C[5]C[4,5,6,6]O[5]C)(H)3	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[4,5,6,6]O[5]C)(H)3	C(C[5]C[4,5,6,6]O[5]C)(H)3	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2	C(C[5]C[4,5]O[5]C)(H)3	C(C[5]C[4,5]O[5]C)(H)3	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[4,5]O[5]C)(H)3	C(C[5]C[4,5]O[5]C)(H)3	111.8420	0.228	2	111.8420	0.052	2	111.8420	0.052	2	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[4,5,5,6])(CH3)2	C(C[5]C[5,5,6]O[5]C)(H)3	C(C[5]C[5,5,6]O[5]C)(H)3	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>}	C(C[5]C[5,5,6]O[5]C)(H)3	C(C[5]C[5,5,6]O[5]C)(H)3	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	111.2400	0.000	1	111.2400	0.000	1	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	110.8010	0.000	1	110.8010	0.000	1	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)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>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	109.4760	0.000	1	109.4760	0.000	1	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	109.6280	0.000	1	109.6280	0.000	1	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	110.4130	0.519	2	110.4130	0.269	2	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	111.5370	0.000	1	110.9443	0.280	3	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	110.5190	0.000	1	110.9443	0.280	3	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	110.7770	0.000	1	110.9443	0.280	3	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	109.5960	0.000	1	110.4265	1.379	2	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	111.2570	0.000	1	110.4265	1.379	2	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	110.5620	0.000	1	111.2620	0.980	2	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2{1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	111.9620	0.000	1	111.2620	0.980	2	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(CH3)2{1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	C(C[5]C[5,5]O[5]C)(H)3	112.3090	0.000	1	112.3090	0.000	1	110.7493	0.755	14	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[4,5,5]C[5]H)(S[5]C[4,5])(CH3)2	C(C[5]C[5,5]S[5]C)(H)3	C(C[5]C[5,5]S[5]C)(H)3	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>}	C(C[5]C[5,5]S[5]C)(H)3	C(C[5]C[5,5]S[5]C)(H)3	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6,6]O[5]C)(H)3	C(C[5]C[5,6,6]O[5]C)(H)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>}	C(C[5]C[5,6,6]O[5]C)(H)3	C(C[5]C[5,6,6]O[5]C)(H)3	109.7100	0.000	1	109.7100	0.000	1	109.4567	0.173	11	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2	C(C[5]C[5,6,6]O[5]C)(H)3	C(C[5]C[5,6,6]O[5]C)(H)3	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>}	C(C[5]C[5,6,6]O[5]C)(H)3	C(C[5]C[5,6,6]O[5]C)(H)3	108.7310	0.000	1	108.7310	0.000	1	109.4567	0.173	11	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6,6]O[5]C)(H)3	C(C[5]C[5,6,6]O[5]C)(H)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>}	C(C[5]C[5,6,6]O[5]C)(H)3	C(C[5]C[5,6,6]O[5]C)(H)3	109.6208	0.282	5	109.5092	0.139	9	109.4567	0.173	11	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6,6]O[5]C)(H)3	C(C[5]C[5,6,6]O[5]C)(H)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>}	C(C[5]C[5,6,6]O[5]C)(H)3	C(C[5]C[5,6,6]O[5]C)(H)3	109.3697	0.466	4	109.5092	0.139	9	109.4567	0.173	11	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3)	C(C[5]C[5,6]O[5]C)(Br)(H)2	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3){2|C<3>,5|H<1>}	C(C[5]C[5,6]O[5]C)(Br)(H)2	C(C[5]C[5,6]O[5]C)(H)3	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	106.9120	0.000	1	106.9120	0.000	1	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	108.7577	0.707	7	108.7577	0.501	7	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	110.1970	0.000	1	110.8088	0.318	4	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	110.5690	0.000	1	110.8088	0.318	4	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	111.2345	0.401	2	110.8088	0.318	4	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	108.9280	0.000	1	108.7895	0.036	4	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	108.7433	0.205	3	108.7895	0.036	4	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	111.5600	0.000	1	111.5600	0.000	1	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	108.4370	0.326	3	107.5565	0.651	17	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	107.1219	0.572	10	107.5565	0.651	17	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	107.9827	0.877	4	107.5565	0.651	17	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	108.0210	0.000	1	108.0210	0.000	1	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	110.6250	0.000	1	110.7023	0.072	3	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	110.4820	0.000	1	110.7023	0.072	3	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	111.0000	0.000	1	110.7023	0.072	3	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	111.0970	0.000	1	111.0505	1.162	6	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	111.8440	0.259	3	111.0505	1.162	6	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(H)3	C(C[5]C[5,6]O[5]C)(H)3	109.8370	0.916	2	111.0505	1.162	6	108.9332	2.677	44	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2	C(C[5]C[5,6]S[5]C)(H)3	C(C[5]C[5,6]S[5]C)(H)3	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2{2|C<3>,3|C<4>}	C(C[5]C[5,6]S[5]C)(H)3	C(C[5]C[5,6]S[5]C)(H)3	111.3420	0.000	1	111.3420	0.000	1	111.2185	0.031	2	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2	C(C[5]C[5,6]S[5]C)(H)3	C(C[5]C[5,6]S[5]C)(H)3	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2{2|C<3>,2|C<4>}	C(C[5]C[5,6]S[5]C)(H)3	C(C[5]C[5,6]S[5]C)(H)3	111.0950	0.000	1	111.0950	0.000	1	111.2185	0.031	2	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3)	C(C[5]C[5]N[5]C)(F)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(F)3	C(C[5]C[5]N[5]C)(H)3	109.4510	0.693	2	109.4510	0.480	2	109.4510	0.480	2	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6]HH)(N[5]C[5])(CH3)2{1|Si<4>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.9420	0.000	1	109.9420	0.000	1	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.9666	0.626	8	109.4327	0.620	16	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.9615	0.624	6	109.4327	0.620	16	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.4320	0.000	1	109.4327	0.620	16	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|N<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.9900	0.000	1	109.4327	0.620	16	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CH)(N[5]C[5])(CH3)2{1|N<3>,1|S<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.5580	0.000	1	109.5580	0.000	1	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.7854	0.750	11	111.3128	0.884	47	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.3813	0.736	24	111.3128	0.884	47	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.6591	1.279	12	111.3128	0.884	47	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2{1|N<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.7520	0.000	1	110.7520	0.000	1	110.8012	1.454	66	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:Cl-1:Cl-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3)	C(C[5]C[5]O[5]C)(Cl)2(H)	C(C[5]C[5]O[5]C)(H)3	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>}	C(C[5]C[5]O[5]C)(Cl)2(H)	C(C[5]C[5]O[5]C)(H)3	109.2345	0.562	2	109.2345	0.316	2	109.2345	0.316	2	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5]C[5]HH)(O[5]B[5])(CF3)2	C(C[5]C[5]O[5]C)(F)3	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]C[5]HH)(O[5]B[5])(CF3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]C)(F)3	C(C[5]C[5]O[5]C)(F)3	109.5210	0.000	1	109.5210	0.000	1	109.1845	0.226	2	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[5]P[5]HH)(O[5]B[5])(CF3)2	C(C[5]C[5]O[5]C)(F)3	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]P[5]HH)(O[5]B[5])(CF3)2{2|C<3>,2|C<4>}	C(C[5]C[5]O[5]C)(F)3	C(C[5]C[5]O[5]C)(F)3	108.8480	0.000	1	108.8480	0.000	1	109.1845	0.226	2	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2{1|C<3>,1|C<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.8860	0.000	1	111.8860	0.000	1	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.6167	1.267	6	110.4767	1.259	8	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{2|C<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.0570	0.557	2	110.4767	1.259	8	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	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>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.2860	0.000	1	111.2860	0.000	1	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.7240	0.000	1	110.7240	0.000	1	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6,6]CC)(O[5]C[5,3x6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6,6]CC)(O[5]C[5,3x6])(CH3)2{1|H<1>,3|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.6750	0.000	1	108.6750	0.000	1	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	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>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.3310	0.000	1	112.3310	0.000	1	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.9445	1.356	4	112.9445	1.840	4	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6690	0.000	1	112.6690	0.000	1	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.5414	0.790	16	112.5414	0.625	16	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)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>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.3340	0.000	1	111.0607	0.137	3	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)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>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.9240	0.403	2	111.0607	0.137	3	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.2887	0.584	3	111.7736	0.616	17	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.0352	0.783	5	111.7736	0.616	17	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.5127	0.489	4	111.7736	0.616	17	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.3575	0.279	2	111.7736	0.616	17	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.9900	0.245	2	111.7736	0.616	17	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.3630	0.000	1	111.7736	0.616	17	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.0675	0.624	2	110.0675	0.390	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.6620	0.000	1	111.9690	0.145	4	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.0713	0.393	3	111.9690	0.145	4	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.2380	0.000	1	112.1062	0.406	5	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.7560	0.000	1	112.1062	0.406	5	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.7730	0.000	1	112.1062	0.406	5	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.3820	0.386	2	112.1062	0.406	5	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2{1|S<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.8670	0.325	2	112.6930	0.144	3	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2{3|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.3450	0.000	1	112.6930	0.144	3	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.1230	0.000	1	111.1230	0.000	1	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.0760	0.000	1	112.7295	0.854	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	113.3830	0.000	1	112.7295	0.854	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2{1|H<1>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.1500	0.000	1	112.1865	0.003	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2{1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.2230	0.000	1	112.1865	0.003	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6617	0.694	3	112.4345	0.528	4	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|S<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.7530	0.000	1	112.4345	0.528	4	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(CH3)2{1|Br<1>,2|C<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.5040	0.000	1	109.5040	0.000	1	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|B<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.4710	0.053	3	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.3842	0.563	13	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.0870	0.000	2	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.4383	0.855	6	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.8557	0.778	3	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Fe<5>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.1770	0.000	1	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Li<4>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6680	0.100	2	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Mn<6>,1|B<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.0697	0.690	3	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|O<1>,1|P<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.8285	0.409	2	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Os<6>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.9730	0.000	1	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.0970	0.312	3	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.6530	0.000	1	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Re<6>,1|B<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.5197	1.169	3	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Zn<4>,1|B<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.3897	1.306	6	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Zn<4>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.3380	0.000	1	111.5462	0.836	50	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[3,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[3,5])(CH3)2{1|Nb<6>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.8740	0.690	2	109.8740	0.476	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[3x5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[3x5])(CH3)2{1|C<4>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.6955	0.858	2	108.6955	0.736	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.5880	0.499	2	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.1880	1.097	2	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.3985	0.335	10	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.2975	1.023	2	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<4>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.4290	0.000	1	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9094	0.403	8	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|Mg<5>,1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.7000	0.000	1	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|Mg<5>,1|O<2>,1|O<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.4452	0.663	5	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|N<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.1939	0.680	8	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.3420	0.089	2	109.3658	0.412	41	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.9260	0.129	2	109.2906	0.091	8	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.3480	0.293	2	109.2906	0.091	8	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2{1|N<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.4442	0.236	4	109.2906	0.091	8	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Al<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.4635	0.023	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.6815	0.671	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.1418	0.334	8	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9979	0.308	8	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<6>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.4610	0.380	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.5830	0.414	7	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|F<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.6710	0.403	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.8060	0.096	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.8725	0.523	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.5750	0.247	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.1964	0.972	557	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.2876	0.842	272	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<5>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.3550	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<5>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.1418	0.596	4	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<6>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.4750	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<6>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.2933	0.319	3	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Cu<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.4660	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Fe<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	107.8350	2.437	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Fe<5>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.6830	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ge<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9905	1.755	4	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|H<1>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.8680	0.464	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ir<5>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.2902	1.116	6	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ir<6>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.1335	0.515	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Li<5>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.3540	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<4>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.5050	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.3860	0.975	4	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<5>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.6830	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<5>,1|O<2>,1|O<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.7610	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<6>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.7010	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.8353	0.308	4	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.3670	0.639	90	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.0846	0.801	50	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.0175	0.216	4	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Pd<5>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.3265	0.849	4	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Pt<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.5703	0.891	6	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Rh<5>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9535	0.623	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Rh<6>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.2275	1.288	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Rh<8>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.5940	0.974	4	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<6>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.3390	0.259	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<7>,1|H<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9980	0.697	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<7>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.7240	0.470	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<8>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.0305	0.049	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|S<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.7772	0.810	4	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Se<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.0060	0.000	1	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Si<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9878	0.676	10	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.0195	0.460	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	108.6715	0.349	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.4585	0.063	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.8140	0.069	2	110.1878	0.810	1099	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5,5])(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.1820	0.132	2	111.1820	0.017	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.5803	0.501	4	110.5803	0.251	4	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.4095	0.221	2	110.7573	0.420	12	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.9930	1.338	2	110.7573	0.420	12	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|Pd<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.7250	0.302	4	110.7573	0.420	12	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|Pd<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.5740	0.071	2	110.7573	0.420	12	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|Re<6>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.1175	0.804	2	110.7573	0.420	12	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]Si[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]Si[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.7225	0.281	2	109.7225	0.079	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)2{1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.6770	0.000	1	112.6770	0.000	1	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2{1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.8715	1.966	2	112.8715	3.867	2	110.3184	1.082	1303	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3)	C(C[5]C[5]O[5]C)(H)2(I)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)2(I)	C(C[5]C[5]O[5]C)(H)3	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3)	C(C[5]C[5]S[5]C)(Cl)(H)2	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]S[5]C)(Cl)(H)2	C(C[5]C[5]S[5]C)(H)3	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2{2|H<1>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	111.5930	0.000	1	111.5930	0.000	1	110.5525	1.457	10	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	110.3492	0.919	4	110.3492	0.845	4	110.5525	1.457	10	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	110.7600	0.000	1	110.7600	0.000	1	110.5525	1.457	10	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	111.5450	0.000	1	109.8570	5.699	2	110.5525	1.457	10	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2{1|Re<5>,1|H<1>,2|C<4>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	108.1690	0.000	1	109.8570	5.699	2	110.5525	1.457	10	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2{1|N<2>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	112.0710	0.000	1	112.0710	0.000	1	110.5525	1.457	10	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HS)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HS)(S[5]C[5])(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	109.9900	0.000	1	109.9900	0.000	1	110.5525	1.457	10	110.3013	1.223	1466	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:1:1:1:	4:4:4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3)	C(C[5]C[5]O[5]C)(Br)(H)2	C(C[5]C[5]O[5]C)(CH3)3	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(Br)(H)2	C(C[5]C[5]O[5]C)(CH3)3	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(OC)(H)2	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(OC)(H)2	C(C[5]C[5,6]O[5]C)(H)3	108.1183	0.256	3	108.1183	0.066	3	108.7790	0.966	6	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(OC)(H)2	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(OC)(H)2	C(C[5]C[5,6]O[5]C)(H)3	109.0535	1.090	2	109.0535	1.187	2	108.7790	0.966	6	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(OH)(H)2	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(OH)(H)2	C(C[5]C[5,6]O[5]C)(H)3	110.2120	0.000	1	110.2120	0.000	1	108.7790	0.966	6	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	110.3747	1.088	6	110.3747	1.184	6	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OSi)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(OSi)(H)2	C(C[5]C[5]O[5]C)(H)3	108.9820	0.000	1	108.9820	0.000	1	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(H)3	112.7470	0.000	1	112.7470	0.000	1	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OSi)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(OSi)(H)2	C(C[5]C[5]O[5]C)(H)3	109.8640	0.000	1	109.8640	0.000	1	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(H)3	113.4230	0.000	1	113.4230	0.000	1	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	110.6700	0.000	1	111.9705	3.383	2	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<4>,1|O<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	113.2710	0.000	1	111.9705	3.383	2	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	110.3210	0.000	1	110.3210	0.000	1	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){2|C<4>}	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(H)3	109.1220	0.000	1	109.1220	0.000	1	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	110.7695	0.045	2	110.4760	0.150	4	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	110.1825	0.320	2	110.4760	0.150	4	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(H)3	109.3160	0.000	1	109.3160	0.000	1	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OSi)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(OSi)(H)2	C(C[5]C[5]O[5]C)(H)3	106.6870	0.000	1	106.6870	0.000	1	110.4277	2.539	20	110.0473	2.625	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2{1|C<3>}	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	111.1505	0.731	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(OC)(H)2	C(C[5]C[5]O[5]C)(OS)(H)2	111.7233	0.328	3	111.7233	0.107	3	111.3839	0.344	7	111.1505	0.731	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2{2|C<3>}	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(OH)(H)2	111.2055	0.193	2	111.2055	0.037	2	111.3839	0.344	7	111.1505	0.731	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2{1|N<3>,3|H<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	C(C[5]C[5]O[5]C)(OS)(H)2	111.0530	1.089	2	111.0530	1.186	2	111.3839	0.344	7	111.1505	0.731	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:2:4:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C(C[5]C[5]O[5]C)(H)3	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(COS)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3){2|C<4>}	C(C[5]C[5]O[5]C)(COS)(H)2	C(C[5]C[5]O[5]C)(H)3	111.8290	0.000	1	111.8290	0.000	1	112.0533	1.654	3	110.6328	8.556	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(COO)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(COO)(H)2	C(C[5]C[5]O[5]C)(H)3	110.8940	0.000	1	110.8940	0.000	1	112.0533	1.654	3	110.6328	8.556	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(H)3	113.4370	0.000	1	113.4370	0.000	1	112.0533	1.654	3	110.6328	8.556	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN)	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	C(C[5]C[5]O[5]C)(Br)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	C(C[5]C[5]O[5]C)(Br)(H)2	108.5020	3.973	2	108.5020	15.781	2	108.5020	15.781	2	110.6328	8.556	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:3:1:1:	4:2:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO)	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C(C[5]C[5]O[5]C)(OC)(H)2	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:3:1:1:	4:4:4:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH)	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(CH3)2(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	C(C[5]C[5]O[5]C)(CH3)2(H)	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:3:2:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(COO)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(COO)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	111.2233	0.358	3	111.2233	0.128	3	111.2233	0.128	3	111.2233	0.128	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(C[5]C[5,5]O[5]C)(H)3	111.4490	0.175	3	111.4490	0.031	3	111.6860	0.265	6	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(C[5]C[5,5]O[5]C)(H)3	112.2530	0.000	1	112.3145	0.008	2	111.6860	0.265	6	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(C[5]C[5,5]O[5]C)(H)3	112.3760	0.000	1	112.3145	0.008	2	111.6860	0.265	6	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C(C[5]C[5,5]O[5]C)(H)3	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>}	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C(C[5]C[5,5]O[5]C)(H)3	111.1400	0.000	1	111.1400	0.000	1	111.6860	0.265	6	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(H)3	110.3250	0.631	2	110.3250	0.398	2	110.3250	0.398	2	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(H)3	102.2980	0.000	3	102.2980	0.000	3	109.0154	26.651	9	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	C(C[5]C[5]O[5]C)(H)3	113.4880	0.000	1	113.4880	0.000	1	109.0154	26.651	9	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(C[5]C[5]O[5]C)(H)3	110.7700	0.000	1	110.7700	0.000	1	109.0154	26.651	9	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(H)3	112.4810	0.000	1	112.4810	0.000	1	109.0154	26.651	9	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	C(C[5]C[5]O[5]C)(H)3	112.7020	0.000	1	112.7020	0.000	1	109.0154	26.651	9	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(C[5]C[5]O[5]C)(H)3	114.1650	0.000	1	114.1650	0.000	1	109.0154	26.651	9	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3){1|O<1>}	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	C(C[5]C[5]O[5]C)(H)3	110.6390	0.000	1	110.6390	0.000	1	109.0154	26.651	9	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)3	113.5260	0.000	1	113.5260	0.000	1	111.6450	5.160	4	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	C(C[5]C[5]O[5]C)(H)3	108.4690	0.000	1	108.4690	0.000	1	111.6450	5.160	4	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)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>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)3	113.0050	0.000	1	112.2925	1.015	2	111.6450	5.160	4	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){2|C<3>,4|H<1>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)3	111.5800	0.000	1	112.2925	1.015	2	111.6450	5.160	4	110.4040	13.190	21	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(OC)(H)2	110.2700	0.000	1	110.2700	0.000	1	110.2700	0.000	1	111.3987	2.241	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:2:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO)	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(C[5]C[5]O[5]C)(OH)(H)2	110.8290	0.000	1	110.8290	0.000	1	111.9630	2.572	2	111.3987	2.241	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:2:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO)	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(C[5]C[5]O[5]C)(OH)(H)2	113.0970	0.000	1	113.0970	0.000	1	111.9630	2.572	2	111.3987	2.241	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:3:1:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2	C(C[5]C[5,5]O[5]C)(CH3)(H)2	C(C[5]C[5,5]O[5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[5,5]O[5]C)(CH3)(H)2	C(C[5]C[5,5]O[5]C)(COO)(H)2	111.7800	0.000	1	111.7800	0.000	1	111.7800	0.000	1	111.6490	0.034	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2{2|C<4>}	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	C(C[5]C[5]O[5]C)(COO)(H)2	111.5180	0.000	1	111.5180	0.000	1	111.5180	0.000	1	111.6490	0.034	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	111.1467	0.294	3	111.1467	0.087	3	111.1893	0.082	9	109.9237	3.248	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(CH3)(H)2	111.5630	0.000	1	111.2107	0.095	6	111.1893	0.082	9	109.9237	3.248	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(CH3)(H)2	111.1402	0.285	5	111.2107	0.095	6	111.1893	0.082	9	109.9237	3.248	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)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>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	107.4950	0.570	2	107.4950	0.325	2	107.0150	0.854	3	109.9237	3.248	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	106.0550	0.000	1	106.0550	0.000	1	107.0150	0.854	3	109.9237	3.248	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH)	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	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>}	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	109.9237	3.248	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2{1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	109.9237	3.248	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH)	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	109.9237	3.248	15	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C(C[5]C[5,6]O[5]C)(H)3	109.4380	0.000	1	109.4380	0.000	1	108.3608	0.767	5	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C(C[5]C[5,6]O[5]C)(H)3	108.0835	0.023	2	108.0915	0.540	4	108.3608	0.767	5	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C(C[5]C[5,6]O[5]C)(H)3	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>}	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C(C[5]C[5,6]O[5]C)(H)3	108.0995	1.272	2	108.0915	0.540	4	108.3608	0.767	5	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3){1|C<4>}	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	111.0435	1.068	6	111.0435	1.141	6	111.0435	1.141	6	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(C[5]C[5]O[5]C)(H)3	114.0520	0.000	1	114.0520	0.000	1	112.4002	2.602	6	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	113.2610	0.000	1	113.2610	0.000	1	112.4002	2.602	6	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	112.9170	0.000	1	112.9170	0.000	1	112.4002	2.602	6	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	112.3120	0.000	1	112.3120	0.000	1	112.4002	2.602	6	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(C[5]C[5]O[5]C)(H)3	109.3580	0.000	1	109.3580	0.000	1	112.4002	2.602	6	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(C[5]C[5]O[5]C)(H)3	112.5010	0.000	1	112.5010	0.000	1	112.4002	2.602	6	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	112.3570	0.000	1	112.3570	0.000	1	112.3570	0.000	1	110.8235	4.098	18	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	109.2800	0.000	1	109.2800	0.000	1	109.7897	0.360	3	109.7897	0.360	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	110.0445	0.575	2	110.0445	0.330	2	109.7897	0.360	3	109.7897	0.360	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO)	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(C[5]C[5]O[5]C)(CCCO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(C[5]C[5]O[5]C)(CCCO)(H)2	114.1485	0.327	2	114.1485	0.107	2	114.1485	0.107	2	114.1485	0.107	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:4:4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	116.5120	1.998	2	116.5120	3.993	2	116.3247	2.102	3	116.3247	2.102	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:2:1:	4:4:4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	115.9500	0.000	1	115.9500	0.000	1	116.3247	2.102	3	116.3247	2.102	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3){1|O<1>}	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C(C[5]C[5]O[5]C)(H)3	115.0150	0.000	1	115.0150	0.000	1	115.0150	0.000	1	115.0150	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI)	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(C[5]C[5]O[5]C)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(C[5]C[5]O[5]C)(H)2(I)	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:4:1:	4:4:4:1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2	C(C[5]C[5,5]O[5]C)(CH3)2(H)	C(C[5]C[5,5]O[5]C)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2{2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]C)(CH3)2(H)	C(C[5]C[5,5]O[5]C)(CH3)2(H)	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	115.6843	7.176	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2	C(C[5]C[5,6]O[5]C)(CH3)2(H)	C(C[5]C[5,6]O[5]C)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)2(H)	C(C[5]C[5,6]O[5]C)(CH3)2(H)	117.0915	1.572	2	117.0915	2.471	2	117.0915	2.471	2	115.6843	7.176	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:2:4:4:	4:4:4:2:	4:3:1:1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:C-2:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3)	C(C[5]C[5]O[5]C)(CH3)2(CC)	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)2(CC)	C(C[5]C[5]O[5]C)(CCH)(H)2	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:2:4:	3:4:3:1:	4:1:1:1:	C-4:C[5]-3:O[5]-2:C-4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C(C[5]C[5]O[5]C)(H)3	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	107.9930	0.020	2	107.9930	0.000	2	107.9930	0.000	2	109.3747	2.900	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	112.0530	0.000	1	112.0530	0.000	1	110.0655	2.924	4	109.3747	2.900	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	108.6770	0.585	2	108.6770	0.343	2	110.0655	2.924	4	109.3747	2.900	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	110.8550	0.000	1	110.8550	0.000	1	110.0655	2.924	4	109.3747	2.900	6	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:F-1:F-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(CF3)(F)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(CF3)(F)2	110.8060	0.016	2	110.8060	0.000	2	110.8060	0.000	2	110.8060	0.000	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2{3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	109.0945	1.254	2	109.0945	1.572	2	109.0945	1.572	2	109.0945	1.572	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C(C[5]C[5]2C)(H)3	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>}	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C(C[5]C[5]2C)(H)3	109.7530	1.714	3	109.7530	2.939	3	109.9180	2.068	4	109.8559	2.293	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3)	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(H)3	110.4130	0.000	1	110.4130	0.000	1	109.9180	2.068	4	109.8559	2.293	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C(C[5]C[5]2C)(H)3	108.2280	0.000	1	108.2280	0.000	1	109.7937	3.272	4	109.8559	2.293	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(H)3	111.9280	0.000	1	111.9280	0.000	1	109.7937	3.272	4	109.8559	2.293	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(H)3	108.3590	0.000	1	108.3590	0.000	1	109.7937	3.272	4	109.8559	2.293	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(H)3	110.6600	0.000	1	110.6600	0.000	1	109.7937	3.272	4	109.8559	2.293	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	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>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)2	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>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)2	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	B[4,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2	C(C[5]B[4,5]C[5]C)(H)3	C(C[5]B[4,5]C[5]C)(H)3	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2{5|C<3>}	C(C[5]B[4,5]C[5]C)(H)3	C(C[5]B[4,5]C[5]C)(H)3	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3,5,5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]C[5]C)(CH3)2	C(C[5]C[3,5,5]N[5]C)(H)3	C(C[5]C[3,5,5]N[5]C)(H)3	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]C[5]C)(CH3)2{2|C<4>,6|H<1>}	C(C[5]C[3,5,5]N[5]C)(H)3	C(C[5]C[3,5,5]N[5]C)(H)3	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C(C[5]C[4,5,5]C[5]C)(H)3	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4,5,5]C[5]C)(H)3	C(C[5]C[4,5,5]C[5]C)(H)3	108.6790	0.000	1	108.9465	0.143	2	108.9465	0.143	2	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C(C[5]C[4,5,5]C[5]C)(H)3	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4,5,5]C[5]C)(H)3	C(C[5]C[4,5,5]C[5]C)(H)3	109.2140	0.000	1	108.9465	0.143	2	108.9465	0.143	2	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,6]-4:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C(C[5]C[4,5,6]C[5,6a]C)(H)3	C(C[5]C[4,5,6]C[5,6a]C)(H)3	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[4,5,6]C[5,6a]C)(H)3	C(C[5]C[4,5,6]C[5,6a]C)(H)3	109.5977	0.489	4	109.5977	0.239	4	109.5977	0.239	4	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	110.5710	0.091	2	110.5710	0.008	2	110.9580	0.204	4	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	111.3450	0.074	2	111.3450	0.005	2	110.9580	0.204	4	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(CH3)2	C(C[5]C[4,5]N[5]C)(H)3	C(C[5]C[4,5]N[5]C)(H)3	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[4,5]N[5]C)(H)3	C(C[5]C[4,5]N[5]C)(H)3	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	107.5430	0.000	1	107.5430	0.000	1	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	110.3040	0.000	1	110.3040	0.000	1	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.4140	0.000	1	109.4140	0.000	1	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)2{1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.0065	0.129	2	109.0065	0.017	2	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{1|N<2>,4|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.9230	0.000	1	109.8465	0.012	2	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{2|N<2>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.7700	0.000	1	109.8465	0.012	2	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	111.1110	0.000	1	111.1110	0.000	1	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	110.9290	0.286	2	110.9290	0.082	2	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]N)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]N)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	110.7460	0.000	1	110.7460	0.000	1	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2{1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	108.5600	0.000	1	108.5600	0.000	1	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2{4|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	111.5370	0.000	1	111.5370	0.000	1	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CH3)2{1|O<2>,2|C<4>,5|H<1>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.8410	0.112	2	109.8410	0.012	2	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]O)(CH3)2{1|S<1>,2|C<4>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	108.3860	0.000	1	108.3860	0.000	1	109.8029	1.240	16	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]C)(CH3)2	C(C[5]C[5,5]N[5]C)(H)3	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]C)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,5]N[5]C)(H)3	C(C[5]C[5,5]N[5]C)(H)3	109.8060	0.000	1	109.8060	0.000	1	110.0065	0.080	2	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(CH3)2	C(C[5]C[5,5]N[5]C)(H)3	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,5]N[5]C)(H)3	C(C[5]C[5,5]N[5]C)(H)3	110.2070	0.000	1	110.2070	0.000	1	110.0065	0.080	2	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3)	C(C[5]C[5,6]C[5]C)(F)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]C)(F)3	C(C[5]C[5,6]C[5]C)(H)3	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.0670	0.000	1	109.0670	0.000	1	108.8064	1.938	12	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2{3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.2255	0.177	2	109.2255	0.032	2	108.8064	1.938	12	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.8610	0.000	1	108.5588	2.011	6	108.8064	1.938	12	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	107.9750	0.000	1	108.5588	2.011	6	108.8064	1.938	12	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.6350	0.000	1	108.5588	2.011	6	108.8064	1.938	12	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	107.9607	1.701	3	108.5588	2.011	6	108.8064	1.938	12	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	107.1050	0.000	1	107.1050	0.000	1	108.8064	1.938	12	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2{1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	108.2110	0.000	1	108.2110	0.000	1	108.8064	1.938	12	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	111.4900	0.000	1	111.4900	0.000	1	108.8064	1.938	12	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2	C(C[5]C[5,6]N[5,5]C)(H)3	C(C[5]C[5,6]N[5,5]C)(H)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>}	C(C[5]C[5,6]N[5,5]C)(H)3	C(C[5]C[5,6]N[5,5]C)(H)3	109.0135	0.292	2	109.0135	0.085	2	109.0090	0.055	5	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	C(C[5]C[5,6]N[5,5]C)(H)3	C(C[5]C[5,6]N[5,5]C)(H)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>}	C(C[5]C[5,6]N[5,5]C)(H)3	C(C[5]C[5,6]N[5,5]C)(H)3	108.9025	0.262	2	109.0060	0.067	3	109.0090	0.055	5	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	C(C[5]C[5,6]N[5,5]C)(H)3	C(C[5]C[5,6]N[5,5]C)(H)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>}	C(C[5]C[5,6]N[5,5]C)(H)3	C(C[5]C[5,6]N[5,5]C)(H)3	109.2130	0.000	1	109.0060	0.067	3	109.0090	0.055	5	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]N[5])(CH3)2	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	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>}	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	111.6275	0.525	2	111.6275	0.276	2	111.2631	0.278	9	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	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>}	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	111.3503	0.279	4	111.3503	0.078	4	111.2631	0.278	9	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]C)(CH3)2	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]C)(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	111.7300	0.000	1	111.7300	0.000	1	111.2631	0.278	9	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]C)(CH3)2	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	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>}	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	110.4300	0.000	1	110.4300	0.000	1	111.2631	0.278	9	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]H)(CH3)2	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	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>}	C(C[5]C[5,6]N[5]C)(H)3	C(C[5]C[5,6]N[5]C)(H)3	110.5520	0.000	1	110.5520	0.000	1	111.2631	0.278	9	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3)	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	109.2288	0.255	4	109.2288	0.065	4	109.2288	0.065	4	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2{1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3290	0.000	1	109.3290	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2{1|H<1>,3|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.9750	0.000	1	109.9750	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2{1|N<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.3130	0.000	1	108.3130	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.0610	0.627	3	110.0610	0.393	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.5070	0.000	1	110.5070	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.0170	0.000	1	110.0170	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2{1|B<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.3035	0.438	2	110.3035	0.192	2	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7740	0.000	1	109.7740	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.4237	0.317	4	110.4237	0.100	4	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	112.5060	0.000	1	112.5060	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	106.5735	0.655	2	106.5735	0.430	2	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2{1|Co<5>,1|N<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.5185	0.334	2	108.6757	0.208	8	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2{1|Fe<4>,1|N<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.4135	0.080	2	108.6757	0.208	8	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2{1|Ni<4>,1|N<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.8855	0.570	4	108.6757	0.208	8	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2{1|Co<5>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.5940	0.608	2	109.2090	0.214	8	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2{1|Fe<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.8880	0.288	2	109.2090	0.214	8	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2{1|Ni<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.1770	0.425	4	109.2090	0.214	8	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.0835	0.269	2	109.0835	0.073	2	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.4630	0.000	1	111.4630	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3850	0.000	1	109.3850	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2{1|Co<5>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.8160	0.000	1	109.3146	0.465	7	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2{1|Co<6>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.2310	0.707	6	109.3146	0.465	7	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.9700	0.382	2	109.5437	0.618	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.6910	0.000	1	109.5437	0.618	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.9520	0.000	1	109.4630	0.651	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.5320	0.000	1	109.4630	0.651	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,3|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.9050	0.000	1	109.4630	0.651	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3000	0.000	1	109.3000	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.4630	0.000	1	109.4630	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.0480	0.485	2	110.0480	0.235	2	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.6552	0.670	6	108.6552	0.448	6	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.4213	0.423	3	109.4213	0.179	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.0945	1.176	38	108.0945	1.383	38	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.7406	0.488	5	108.7406	0.238	5	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.5140	0.000	1	110.2928	0.389	19	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.4460	0.000	1	110.2928	0.389	19	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.3172	0.623	11	110.2928	0.389	19	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Co<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.3870	0.000	1	110.2928	0.389	19	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Cu<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1430	0.000	1	110.2928	0.389	19	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Pd<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.2910	0.000	1	110.2928	0.389	19	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Zn<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.4313	0.589	3	110.2928	0.389	19	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Co)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Co)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.4280	1.192	4	108.4280	1.420	4	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.9135	0.436	2	107.9135	0.190	2	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.6029	1.218	13	108.6029	1.483	13	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.9110	0.130	2	108.9110	0.017	2	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.0133	0.458	3	109.0133	0.210	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7793	0.442	4	109.8430	0.112	9	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.8600	0.000	1	109.8430	0.112	9	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{3|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.9025	0.307	4	109.8430	0.112	9	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.6360	0.000	1	110.3794	0.198	9	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.8880	0.173	2	110.3794	0.198	9	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.8010	0.000	1	110.3794	0.198	9	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.0455	0.141	2	110.3794	0.198	9	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|N<3>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.2285	0.523	2	110.3794	0.198	9	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.6540	0.000	1	110.3794	0.198	9	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.5659	1.038	11	108.5968	0.990	12	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|O<1>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.9360	0.000	1	108.5968	0.990	12	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.9560	0.338	5	107.9560	0.114	5	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2{1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.3835	0.230	2	111.0417	0.377	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2{1|O<1>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.3580	0.000	1	111.0417	0.377	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.6000	0.000	1	110.6000	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.0690	0.704	17	108.0690	0.496	17	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Sn)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Sn)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.0150	0.000	1	109.0150	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Ti)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ti)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.0800	0.275	4	108.0800	0.076	4	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]N)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]N)(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.9610	0.000	1	110.9610	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)2{1|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.1360	0.052	3	111.1360	0.003	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.7390	0.000	1	108.7390	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.5443	0.137	3	110.5443	0.019	3	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.8300	0.000	1	109.8160	0.000	2	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.8020	0.000	1	109.8160	0.000	2	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2{4|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.2820	0.000	1	110.2820	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1610	0.000	1	110.1610	0.000	1	109.0785	1.514	223	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3)	C(C[5]C[5]N[5]C)(Cl)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(Cl)(H)2	C(C[5]C[5]N[5]C)(H)3	107.1260	0.144	2	107.1260	0.021	2	107.1260	0.021	2	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]Cu)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.6275	0.172	2	110.6275	0.030	2	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2{2|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.5630	0.276	2	111.5630	0.076	2	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.2200	0.613	5	110.2200	0.376	5	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.7185	1.454	4	109.2146	2.815	24	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.4993	1.500	15	109.2146	2.815	24	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.9920	0.000	1	109.2146	2.815	24	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.3730	0.000	1	109.2146	2.815	24	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.0105	0.663	2	109.2146	2.815	24	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	107.4010	0.000	1	109.2146	2.815	24	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CH3)2{1|N<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.9030	0.000	1	108.9030	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)2{1|N<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.6335	2.591	4	109.6335	6.715	4	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.4152	1.089	5	110.8616	1.349	9	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.2220	0.000	1	110.8616	1.349	9	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.4600	0.000	1	110.8616	1.349	9	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|P<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.9560	0.000	1	110.8616	1.349	9	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|S<4>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	113.0400	0.000	1	110.8616	1.349	9	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CH3)2{1|N<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.5512	1.546	5	111.5512	2.391	5	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.1920	0.225	2	110.7763	1.050	3	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.9450	0.000	1	110.7763	1.050	3	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.4025	0.217	2	111.4025	0.047	2	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.3030	0.000	1	112.3030	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]O[5]C)(CH3)2{1|H<1>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.3347	1.612	3	112.3347	2.599	3	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HN)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HN)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.6280	0.000	1	111.6280	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2{2|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.3700	0.000	1	111.3700	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	101.3690	0.000	1	101.3690	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5,5]CC)(N[5]C[5,5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]CC)(N[5]C[5,5]H)(CH3)2{1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.2243	0.478	6	108.2243	0.228	6	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.2640	0.000	1	111.2640	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]Co)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Co)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.0300	0.474	3	110.0300	0.225	3	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]Cr)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Cr)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.1475	0.507	8	109.1475	0.257	8	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.3140	0.000	1	111.3140	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.4025	0.148	2	110.1903	0.146	3	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.7660	0.000	1	110.1903	0.146	3	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]Mn)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Mn)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.2320	0.000	1	109.2320	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]Ni)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Ni)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.1954	1.639	8	109.1954	2.686	8	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.9882	0.281	12	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.4320	1.383	3	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.3428	1.442	342	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.5649	0.743	27	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.2918	1.068	13	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.1065	0.628	20	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.6877	0.548	3	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.0540	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Co<5>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.0270	0.052	2	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Co<6>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.8260	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Cr<6>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.2604	0.355	8	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Cu<4>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.1850	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Gd<15>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.5010	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Mn<6>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.6560	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|N<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.1545	0.433	4	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|N<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.1020	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Ni<5>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.2110	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Ni<6>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.3643	0.464	7	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Pd<4>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.5985	0.120	2	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Pt<4>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.3310	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Pt<4>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.1115	0.716	6	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Tb<15>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.5870	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Zn<5>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.0800	0.296	8	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Zn<6>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.3940	0.000	1	110.3047	1.691	467	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]Pd)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Pd)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.4355	0.128	2	110.4355	0.016	2	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]Pt)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Pt)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.6420	0.000	1	109.6420	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]Zn)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Zn)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.6081	0.293	9	109.6081	0.086	9	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.3660	0.000	1	111.3660	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.1757	0.411	8	111.9861	0.197	19	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.1800	0.000	1	111.9861	0.197	19	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.9150	0.013	2	111.9861	0.197	19	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.7827	0.554	6	111.9861	0.197	19	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8115	0.422	2	111.9861	0.197	19	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ce)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ce)(CH3)2{1|C<5>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.8618	0.455	4	110.8618	0.207	4	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.3652	0.536	21	111.1889	0.893	42	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.9598	1.332	17	111.1889	0.893	42	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.2368	0.560	4	111.1889	0.893	42	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8787	0.252	4	111.6401	0.430	15	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.5534	0.743	11	111.6401	0.430	15	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.1324	0.904	45	111.2406	0.819	51	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.0517	0.326	6	111.2406	0.819	51	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.4961	0.866	7	111.5736	0.691	8	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.1160	0.000	1	111.5736	0.691	8	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Hf)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Hf)(CH3)2{1|C<5>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.2535	0.555	2	112.2535	0.308	2	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.7983	0.949	6	111.6189	0.711	27	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.5676	0.829	21	111.6189	0.711	27	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.1857	0.793	4	111.2450	0.490	5	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.4820	0.000	1	111.2450	0.490	5	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8206	0.870	14	111.3005	0.903	26	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.6938	0.643	12	111.3005	0.903	26	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8150	1.316	3	111.8150	1.731	3	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.1080	0.210	3	111.3979	0.680	30	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.2750	0.899	8	111.3979	0.680	30	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.4955	0.863	19	111.3979	0.680	30	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.4013	0.977	13	112.4013	0.954	13	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.9211	1.020	9	111.8778	0.696	28	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.8572	0.762	19	111.8778	0.696	28	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.3100	0.000	1	110.3100	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.4372	0.861	5	111.4372	0.741	5	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.7496	0.730	8	111.6113	0.506	10	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.0580	0.240	2	111.6113	0.506	10	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	108.6990	0.964	2	111.3914	5.212	8	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.8398	1.334	5	111.3914	5.212	8	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|N<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.5340	0.000	1	111.3914	5.212	8	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.3574	0.633	5	111.3574	0.401	5	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Ti)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ti)(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.7810	0.000	1	112.7810	0.000	1	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]V)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]V)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	112.0140	0.337	2	112.0140	0.113	2	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.2629	0.542	36	111.2763	0.352	48	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.3166	0.752	12	111.2763	0.352	48	110.6985	1.897	928	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.8817	0.935	36	112.8817	0.873	36	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.7144	0.346	5	112.7144	0.120	5	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Sr)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Sr)(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.9913	0.388	4	112.9913	0.151	4	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5]Co)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Co)(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9360	0.000	1	110.4800	0.592	2	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5]Co)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Co)(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.0240	0.000	1	110.4800	0.592	2	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5]Cu)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Cu)(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	111.0930	0.000	1	111.0930	0.000	1	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5]Li)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Li)(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.3280	0.000	1	109.3280	0.000	1	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.0930	0.000	1	111.6175	0.969	4	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2{1|H<1>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.9950	0.000	1	111.6175	0.969	4	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2{1|O<2>,1|O<3>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	110.6230	0.000	1	111.6175	0.969	4	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2{2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	112.7590	0.000	1	111.6175	0.969	4	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5]Ru)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Ru)(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C(C[5]C[5]O[5]C)(H)3	109.9625	0.800	2	109.9625	0.640	2	112.4919	1.449	55	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(CH3)2{1|Ru<6>,2|H<1>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	109.1130	0.000	1	109.1130	0.000	1	111.7398	1.930	6	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[4,5]CH)(S[5]C[4,5]O)(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	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>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	112.2652	0.585	5	112.2652	0.343	5	111.7398	1.930	6	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]2C)(H)3	C(C[5]N[5]2C)(H)3	112.5676	0.539	11	112.5676	0.290	11	112.5676	0.290	11	110.4636	2.408	1287	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[3x5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3)	C(C[5]C[3x5]C[5]C)(OC)(H)2	C(C[5]C[3x5]C[5]C)(H)3	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[3x5]C[5]C)(OC)(H)2	C(C[5]C[3x5]C[5]C)(H)3	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	108.9183	1.516	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3)	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(H)3	108.8850	0.000	1	108.8850	0.000	1	109.6573	0.454	3	108.9183	1.516	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3)	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	109.9630	0.000	1	109.9630	0.000	1	109.6573	0.454	3	108.9183	1.516	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3)	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	110.1240	0.000	1	110.1240	0.000	1	109.6573	0.454	3	108.9183	1.516	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3)	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(H)3	108.4760	0.000	1	108.4760	0.000	1	108.9693	0.731	4	108.9183	1.516	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3)	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(H)3	108.3770	0.000	1	108.3770	0.000	1	108.9693	0.731	4	108.9183	1.516	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3)	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3){1|C<4>,1|P<4>,2|H<1>}	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(H)3	108.8010	0.000	1	108.8010	0.000	1	108.9693	0.731	4	108.9183	1.516	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3)	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>}	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(H)3	110.2230	0.000	1	110.2230	0.000	1	108.9693	0.731	4	108.9183	1.516	8	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	110.3470	0.000	1	110.3470	0.000	1	109.0707	0.902	7	108.8250	2.375	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(OH)(H)2	108.8580	0.838	6	108.8580	0.703	6	109.0707	0.902	7	108.8250	2.375	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2	C(C[5]C[5]N[5]C)(OSi)(H)2	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2{1|C<4>,3|H<1>}	C(C[5]C[5]N[5]C)(OSi)(H)2	C(C[5]C[5]N[5]C)(OC)(H)2	105.0560	0.000	1	105.0560	0.000	1	108.3950	5.726	4	108.8250	2.375	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2	C(C[5]C[5]N[5]C)(OC)(H)2	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2{1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(OC)(H)2	C(C[5]C[5]N[5]C)(OC)(H)2	109.0270	0.000	1	109.0270	0.000	1	108.3950	5.726	4	108.8250	2.375	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CHHO)2	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CHHO)2{1|C<3>}	C(C[5]C[5]N[5]C)(OH)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	109.7485	1.402	2	109.7485	1.966	2	108.3950	5.726	4	108.8250	2.375	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3)	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C(C[5]C[5,5]C[5]C)(H)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>}	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C(C[5]C[5,5]C[5]C)(H)3	108.6955	0.716	2	108.6955	0.513	2	108.6955	0.513	2	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C(C[5]C[5,6a]C[5,6]C)(H)3	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[5]O)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	C(C[5]C[5]2C)(CC[5]O)(H)2	C(C[5]C[5]2C)(H)3	112.1340	0.000	1	112.1340	0.000	1	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	110.3450	0.000	1	109.5962	0.398	4	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	109.3320	0.000	1	109.5962	0.398	4	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	109.8260	0.000	1	109.5962	0.398	4	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	108.8820	0.000	1	109.5962	0.398	4	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CNO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<3>}	C(C[5]C[5]2C)(CNO)(H)2	C(C[5]C[5]2C)(H)3	110.7782	0.251	5	110.7782	0.063	5	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<3>}	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	111.6960	0.000	1	111.6960	0.000	1	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(H)3	110.2660	0.000	1	110.2660	0.000	1	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]H)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	C(C[5]C[5]2C)(CC[6]H)(H)2	C(C[5]C[5]2C)(H)3	112.1080	0.000	1	112.1080	0.000	1	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(H)3	108.5410	0.000	1	108.5410	0.000	1	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	110.4720	0.000	1	111.2865	1.327	2	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(H)3	112.1010	0.000	1	111.2865	1.327	2	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	108.5400	0.000	1	108.5400	0.000	1	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCC)(H)2	C(C[5]C[5]2C)(H)3	111.8480	0.000	1	111.8480	0.000	1	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,1|S<4>}	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	110.1380	0.000	1	110.1380	0.000	1	110.5326	1.334	19	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C(C[5]C[5]2C)(H)3	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3)	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3){1|O<1>,3|C<3>}	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	C(C[5]C[5]2C)(H)3	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CNO)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	C(C[5]C[5]N[5]C)(CNO)(H)2	C(C[5]C[5]N[5]C)(H)3	113.1330	0.038	2	113.1330	0.001	2	113.1330	0.001	2	110.5193	1.857	26	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)2{1|C<4>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){1|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C(C[5]C[5]2C)(H)3	112.3960	0.000	1	112.3960	0.000	1	111.4950	1.624	2	111.1040	1.270	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C(C[5]C[5]2C)(H)3	110.5940	0.000	1	110.5940	0.000	1	111.4950	1.624	2	111.1040	1.270	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	111.1040	1.270	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:3:3:1:	4:4:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]2H)(CCHH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)2(H)	C(C[5]C[5]N[5]C)(CRhCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]2H)(CCHH){1|C<4>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)2(H)	C(C[5]C[5]N[5]C)(CRhCH)(H)2	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]C)(H)3	109.2310	0.000	1	108.8135	0.349	2	108.8135	0.349	2	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]C)(H)3	108.3960	0.000	1	108.8135	0.349	2	108.8135	0.349	2	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	107.7480	0.429	4	107.7480	0.184	4	108.1720	3.261	7	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	107.0290	0.000	1	107.0375	0.000	2	108.1720	3.261	7	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	107.0460	0.000	1	107.0375	0.000	2	108.1720	3.261	7	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(C[5]C[5,6]C[5]C)(H)3	112.1370	0.000	1	112.1370	0.000	1	108.1720	3.261	7	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3)	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3){1|C<4>,1|H<1>}	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	111.4490	0.000	1	111.4490	0.000	1	109.1064	3.645	18	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	111.3420	0.000	1	109.7736	1.186	7	109.1064	3.645	18	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	109.5122	0.922	6	109.7736	1.186	7	109.1064	3.645	18	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	108.9130	0.000	1	108.9130	0.000	1	109.1064	3.645	18	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	108.8980	0.000	1	108.8980	0.000	1	109.1064	3.645	18	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(H)3	108.8150	0.000	1	108.8150	0.000	1	109.1064	3.645	18	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCFF)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCFF)(H)2	C(C[5]C[5]2C)(H)3	108.2036	2.594	7	108.2036	6.728	7	109.1064	3.645	18	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	113.1200	0.000	1	113.1200	0.000	1	110.6812	4.003	5	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	110.6310	0.000	1	110.3080	0.209	2	110.6812	4.003	5	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	109.9850	0.000	1	110.3080	0.209	2	110.6812	4.003	5	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	107.8170	0.000	1	107.8170	0.000	1	110.6812	4.003	5	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	111.8530	0.000	1	111.8530	0.000	1	110.6812	4.003	5	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3)	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C(C[5]C[5]2C)(H)3	113.3830	0.000	1	113.3830	0.000	1	113.6670	0.161	2	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3)	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|O<1>}	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C(C[5]C[5]2C)(H)3	113.9510	0.000	1	113.9510	0.000	1	113.6670	0.161	2	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3){4|H<1>}	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(C[5]C[5]N[5]C)(H)3	108.6020	0.000	1	108.6020	0.000	1	110.8630	10.224	2	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(CH3){1|O<1>}	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(C[5]C[5]N[5]C)(H)3	113.1240	0.000	1	113.1240	0.000	1	110.8630	10.224	2	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[5]C[5]N[5]C)(H)3	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3)	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3){1|O<1>}	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C(C[5]C[5]N[5]C)(H)3	114.2140	0.000	1	114.2140	0.000	1	114.2140	0.000	1	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHN)(CH3)	C(C[5]C[5]N[5]C)(NCuCH)(H)2	C(C[5]C[5]N[5]C)(H)3	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>}	C(C[5]C[5]N[5]C)(NCuCH)(H)2	C(C[5]C[5]N[5]C)(H)3	108.6295	0.606	2	108.6295	0.367	2	108.6295	0.367	2	109.6381	4.917	42	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO)	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO){1|H<1>,2|O<2>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(OC)(H)2	105.0470	0.000	1	105.0470	0.000	1	105.0935	0.004	2	107.0960	6.730	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO)	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(OH)(H)2	105.1400	0.000	1	105.1400	0.000	1	105.0935	0.004	2	107.0960	6.730	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO)	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	107.6590	0.000	1	107.6590	0.000	1	109.0985	4.144	2	107.0960	6.730	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO)	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO){1|O<1>}	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	110.5380	0.000	1	110.5380	0.000	1	109.0985	4.144	2	107.0960	6.730	4	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CC3)(H)2	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CC3)(H)2	C(C[5]C[5]2C)(CCH)(H)2	111.9230	0.614	2	111.9230	0.377	2	112.4090	0.423	5	112.4090	0.423	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CCH)(H)2	112.7330	0.513	3	112.7330	0.263	3	112.4090	0.423	5	112.4090	0.423	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2{4|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	112.5430	0.807	3	112.5430	0.652	3	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2{1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(CH3)(H)2	107.3950	0.000	1	107.3950	0.000	1	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	109.5042	1.145	4	109.5042	1.311	4	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	108.4620	0.530	2	108.4620	0.281	2	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	109.8562	1.466	12	109.8562	2.149	12	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Cu)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Cu)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	109.1250	0.779	2	109.1250	0.607	2	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	108.9840	0.874	2	108.9840	0.764	2	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	110.2170	0.000	1	110.2170	0.000	1	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2{1|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	111.3040	0.000	1	111.3040	0.000	1	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)2{1|C<4>,1|N<3>,2|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	110.8510	0.000	1	110.8510	0.000	1	109.8907	2.443	29	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2{1|H<1>,2|C<4>}	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(CH3)(H)2	109.8930	0.000	1	110.0287	0.023	3	110.0287	0.023	3	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2{1|H<1>,3|C<4>}	C(C[5]C[5]N[5]C)(CH3)(H)2	C(C[5]C[5]N[5]C)(CH3)(H)2	110.0965	0.136	2	110.0287	0.023	3	110.0287	0.023	3	109.9036	2.210	32	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	112.4920	0.824	3	112.3972	0.488	4	112.5506	0.484	5	112.5506	0.484	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	112.1130	0.000	1	112.3972	0.488	4	112.5506	0.484	5	112.5506	0.484	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C(C[5]C[5]2C)(H)3	113.1640	0.000	1	113.1640	0.000	1	112.5506	0.484	5	112.5506	0.484	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:2:1:	4:3:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO)	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C(C[5]C[5]N[5]C)(CCC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO){1|C<2>,3|H<1>}	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C(C[5]C[5]N[5]C)(CCC)(H)2	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:2:1:	4:4:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO)	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C(C[5]C[5]2C)(CH3)2(OH)	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>}	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C(C[5]C[5]2C)(CH3)2(OH)	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]S)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]S)(CCCH)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(C[5]C[5]N[5]C)(H)3	112.0850	0.892	2	112.0850	0.796	2	112.0850	0.796	2	112.0850	0.796	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:2:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C-4:N[5]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	C(C[5]C[5]N[5]C)(H)3	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:2:4:	4:3:2:1:	4:1:1:1:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C(C[5]C[5]O[5]C)(H)3	114.2760	0.000	1	114.2760	0.000	1	114.2760	0.000	1	114.2760	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:O[5]-2:C-4:	C[6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3)	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)3	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>}	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	C(C[5]C[5]O[5]C)(H)3	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	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>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:2:4:	4:4:2:1:	4:4:1:1:	C[5]-4:C-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C(C[5]C[5]O[5]C)(CC[3]HH)(H)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>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	108.2680	0.656	3	108.2680	0.430	3	108.2680	0.430	3	108.2680	0.430	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3){2|C<3>}	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C(C[5]C[5]2C)(H)3	113.9270	0.000	1	113.9270	0.000	1	113.9270	0.000	1	113.9270	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2{4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	112.1015	6.333	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:S[5]-4:C-4:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3)	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	C(C[5]C[5]S[5]C)(H)3	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>}	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	C(C[5]C[5]S[5]C)(H)3	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	112.1015	6.333	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	3:4:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(OH)(H)2	114.8685	2.172	2	114.8685	4.716	2	114.8685	4.716	2	114.8685	4.716	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(CCH)(H)2	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5,6]-4:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2	C(C[5]C[3,5,6]C[5,5]C)(H)3	C(C[5]C[3,5,6]C[5,5]C)(H)3	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[3,5,6]C[5,5]C)(H)3	C(C[5]C[3,5,6]C[5,5]C)(H)3	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(CH3)2	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	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>}	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	109.7930	0.000	1	109.7930	0.000	1	109.9077	0.306	18	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]C)(C[5]O[5]HH)(CH3)2	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]O[5]HH)(CH3)2{1|C<3>}	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	110.6080	0.000	1	110.6080	0.000	1	109.9077	0.306	18	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	110.8255	0.166	2	109.9285	0.343	12	109.9077	0.306	18	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2{1|C<4>,2|H<1>}	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	109.7491	0.449	10	109.9285	0.343	12	109.9077	0.306	18	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	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>}	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	109.1250	0.000	1	109.1250	0.000	1	109.9077	0.306	18	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	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>}	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	109.4570	0.000	1	109.8900	0.153	3	109.9077	0.306	18	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	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>}	C(C[5]C[3,5]C[5]C)(H)3	C(C[5]C[3,5]C[5]C)(H)3	110.1065	0.158	2	109.8900	0.153	3	109.9077	0.306	18	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:N[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2	C(C[5]C[3,5]N[5]C)(H)3	C(C[5]C[3,5]N[5]C)(H)3	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[3,5]N[5]C)(H)3	C(C[5]C[3,5]N[5]C)(H)3	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[3x5]C[5]C)(H)3	C(C[5]C[3x5]C[5]C)(H)3	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>}	C(C[5]C[3x5]C[5]C)(H)3	C(C[5]C[3x5]C[5]C)(H)3	108.6925	0.419	2	108.6925	0.176	2	108.6925	0.176	2	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]B[4]C[4]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)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>}	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	108.6630	0.000	1	108.6630	0.000	1	109.5021	1.187	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]N[5]HH)(CH3)2	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]N[5]HH)(CH3)2{1|O<2>,2|C<3>}	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	108.6454	0.691	5	108.6454	0.477	5	109.5021	1.187	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	110.2170	0.922	8	110.2170	0.850	8	109.5021	1.187	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	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>}	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	108.3940	0.000	1	109.2035	1.311	2	109.5021	1.187	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[4,5]C[5]C)(H)3	C(C[5]C[4,5]C[5]C)(H)3	110.0130	0.000	1	109.2035	1.311	2	109.5021	1.187	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5,6]C[5,6]C)(H)3	C(C[5]C[5,5,6]C[5,6]C)(H)3	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>}	C(C[5]C[5,5,6]C[5,6]C)(H)3	C(C[5]C[5,5,6]C[5,6]C)(H)3	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HO)(CH3)2	C(C[5]C[5,5,6]C[5]C)(H)3	C(C[5]C[5,5,6]C[5]C)(H)3	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>}	C(C[5]C[5,5,6]C[5]C)(H)3	C(C[5]C[5,5,6]C[5]C)(H)3	108.2130	0.127	2	108.2130	0.016	2	108.8668	0.485	6	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5,6]C[5]C)(H)3	C(C[5]C[5,5,6]C[5]C)(H)3	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>}	C(C[5]C[5,5,6]C[5]C)(H)3	C(C[5]C[5,5,6]C[5]C)(H)3	109.4750	0.071	2	109.4987	0.004	3	108.8668	0.485	6	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5,6]C[5]C)(H)3	C(C[5]C[5,5,6]C[5]C)(H)3	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>}	C(C[5]C[5,5,6]C[5]C)(H)3	C(C[5]C[5,5,6]C[5]C)(H)3	109.5460	0.000	1	109.4987	0.004	3	108.8668	0.485	6	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HO)(CH3)2	C(C[5]C[5,5,6]C[5]C)(H)3	C(C[5]C[5,5,6]C[5]C)(H)3	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>}	C(C[5]C[5,5,6]C[5]C)(H)3	C(C[5]C[5,5,6]C[5]C)(H)3	108.2790	0.000	1	108.2790	0.000	1	108.8668	0.485	6	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]O)(CH3)2	C(C[5]C[5,5]2C)(H)3	C(C[5]C[5,5]2C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C(C[5]C[5,5]2C)(H)3	C(C[5]C[5,5]2C)(H)3	107.4570	0.000	1	107.4570	0.000	1	107.7650	0.190	2	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2O[5])(CH3)2	C(C[5]C[5,5]2C)(H)3	C(C[5]C[5,5]2C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2O[5])(CH3)2{1|C<4>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C(C[5]C[5,5]2C)(H)3	C(C[5]C[5,5]2C)(H)3	108.0730	0.000	1	108.0730	0.000	1	107.7650	0.190	2	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2H)(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	106.8540	0.000	1	106.8540	0.000	1	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	109.3090	0.000	1	107.2911	3.159	10	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	106.4300	0.000	1	107.2911	3.159	10	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	107.3860	2.297	2	107.2911	3.159	10	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	108.5390	0.000	1	107.2911	3.159	10	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	109.9540	0.000	1	107.2911	3.159	10	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	107.3710	0.000	1	107.2911	3.159	10	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	105.8370	0.000	1	107.2911	3.159	10	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	105.3495	0.111	2	107.2911	3.159	10	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	106.9660	0.000	1	106.9660	0.000	1	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]N[5]O)(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	107.6590	0.000	1	107.6590	0.000	1	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	108.3170	0.000	1	108.3170	0.000	1	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	105.9130	0.000	1	105.4454	0.197	5	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	105.3285	0.413	4	105.4454	0.197	5	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	109.4390	0.000	1	109.4390	0.000	1	106.9686	2.646	20	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	107.0840	0.433	2	107.0840	0.187	2	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.4953	0.150	3	109.6690	0.150	5	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	110.3350	0.000	1	109.6690	0.150	5	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.5240	0.000	1	109.6690	0.150	5	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	108.1490	0.000	1	108.1490	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	107.8200	0.000	1	107.8200	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	108.0940	0.000	1	108.0940	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.1235	0.573	2	109.1235	0.329	2	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]Sc)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Sc)(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	108.5090	0.188	2	108.5090	0.035	2	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]CH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	108.6170	0.000	1	108.6170	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	110.2300	0.000	1	110.2300	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.6960	0.000	1	109.6960	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	106.9470	0.000	1	106.9470	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)2{2|C<3>,2|O<1>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	110.2080	0.000	1	110.2080	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]N[5,5]B[5]C)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	106.4290	0.000	1	106.4290	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]N[5]O[5]2)(C[5]C[6a]N[5]H)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(H)3	C(C[5]C[5,5]C[5]C)(H)3	109.8860	0.000	1	109.8860	0.000	1	108.7550	1.407	21	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,6,6]C[5,5]C)(H)3	C(C[5]C[5,6,6]C[5,5]C)(H)3	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>}	C(C[5]C[5,6,6]C[5,5]C)(H)3	C(C[5]C[5,6,6]C[5,5]C)(H)3	107.9920	0.000	1	107.5905	0.101	4	107.8562	0.342	6	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1: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	C(C[5]C[5,6,6]C[5,5]C)(H)3	C(C[5]C[5,6,6]C[5,5]C)(H)3	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>}	C(C[5]C[5,6,6]C[5,5]C)(H)3	C(C[5]C[5,6,6]C[5,5]C)(H)3	107.4567	0.210	3	107.5905	0.101	4	107.8562	0.342	6	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2	C(C[5]C[5,6,6]C[5,5]C)(H)3	C(C[5]C[5,6,6]C[5,5]C)(H)3	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>}	C(C[5]C[5,6,6]C[5,5]C)(H)3	C(C[5]C[5,6,6]C[5,5]C)(H)3	107.8580	0.000	1	108.3875	0.561	2	107.8562	0.342	6	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2	C(C[5]C[5,6,6]C[5,5]C)(H)3	C(C[5]C[5,6,6]C[5,5]C)(H)3	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>}	C(C[5]C[5,6,6]C[5,5]C)(H)3	C(C[5]C[5,6,6]C[5,5]C)(H)3	108.9170	0.000	1	108.3875	0.561	2	107.8562	0.342	6	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(CH3)2	C(C[5]C[5,6,6]C[5]C)(H)3	C(C[5]C[5,6,6]C[5]C)(H)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>}	C(C[5]C[5,6,6]C[5]C)(H)3	C(C[5]C[5,6,6]C[5]C)(H)3	108.7170	0.000	1	108.7170	0.000	1	108.0625	0.857	2	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]O[5]CC)(CH3)2	C(C[5]C[5,6,6]C[5]C)(H)3	C(C[5]C[5,6,6]C[5]C)(H)3	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>}	C(C[5]C[5,6,6]C[5]C)(H)3	C(C[5]C[5,6,6]C[5]C)(H)3	107.4080	0.000	1	107.4080	0.000	1	108.0625	0.857	2	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2N[5])(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(H)3	C(C[5]C[5,5]C[5,6]C)(H)3	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[6]N[5]O[6])(CH3)2	C(C[5]C[5,6]2C)(H)3	C(C[5]C[5,6]2C)(H)3	C[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[6]N[5]O[6])(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]2C)(H)3	C(C[5]C[5,6]2C)(H)3	108.5365	0.002	2	108.5365	0.000	2	108.5365	0.000	2	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	110.2380	0.000	1	110.2380	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	107.5790	0.430	2	107.5790	0.185	2	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	107.2360	0.000	1	107.2360	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	107.0110	0.000	1	107.0110	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	107.6100	0.000	1	107.6100	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	108.2700	0.000	1	108.2700	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	108.8140	0.841	2	108.8140	0.708	2	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.4030	0.000	1	109.4030	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2{2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.3930	0.000	1	109.3930	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	107.0990	0.000	1	107.0990	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	109.3960	0.000	1	109.3960	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	110.4380	0.083	2	110.4380	0.007	2	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	C(C[5]C[5,6]C[5]C)(H)3	C(C[5]C[5,6]C[5]C)(H)3	106.1820	0.000	1	106.1820	0.000	1	108.4688	1.848	16	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CF3)(CH3)	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CF3)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	106.3220	0.034	2	106.3220	0.001	2	108.1490	3.202	7	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3)	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	107.7080	0.000	1	107.7080	0.000	1	108.1490	3.202	7	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	109.7060	0.000	1	110.3990	0.960	2	108.1490	3.202	7	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>}	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	111.0920	0.000	1	110.3990	0.960	2	108.1490	3.202	7	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3)	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(F)3	C(C[5]C[5]2C)(H)3	107.9465	1.084	2	107.9465	1.175	2	108.1490	3.202	7	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[5,5]HH)(C[5]N[5,5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.5890	0.000	1	108.5890	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[5]2N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.1053	0.429	3	107.1053	0.184	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.0220	0.000	1	107.9130	2.460	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	106.8040	0.000	1	107.9130	2.460	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[5a]2N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.8350	0.000	1	107.8350	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]B[6]2N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.1040	0.000	1	107.1040	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[3,5]HO)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3867	1.899	6	109.3867	3.608	6	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.5770	0.000	1	109.5770	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.7750	0.000	1	108.7750	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.9100	0.000	1	109.9100	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.9060	0.000	1	109.9060	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.7085	0.098	2	110.7085	0.010	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.4460	0.000	1	110.1445	0.182	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.8430	0.000	1	110.1445	0.182	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1130	0.000	1	110.1130	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)2(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7820	0.024	2	109.7820	0.001	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.5790	0.000	1	108.5790	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.3860	0.000	1	110.3860	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3548	0.422	6	109.3548	0.178	6	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6,6]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]HH)2(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.9105	0.289	2	109.9105	0.084	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.1150	2.145	2	107.1150	4.603	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.2810	0.000	1	108.2810	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.0625	1.019	2	108.0625	1.038	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.2880	0.000	1	109.8525	4.895	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.4170	0.000	1	109.8525	4.895	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.0593	0.303	3	109.8923	0.173	4	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3910	0.000	1	109.8923	0.173	4	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.7300	0.000	1	110.2422	0.334	5	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1202	0.588	4	110.2422	0.334	5	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3660	0.000	1	109.5058	0.308	16	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.5697	0.281	3	109.5058	0.308	16	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.8690	0.000	1	109.5058	0.308	16	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.5240	0.000	1	109.5058	0.308	16	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.4625	0.689	10	109.5058	0.308	16	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]HO)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HO)2(CH3)2{1|Cr<9>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.6530	0.000	1	109.6530	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.4044	0.633	7	110.4044	0.401	7	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.2453	0.239	3	110.2453	0.057	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2{4|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.6367	1.172	18	108.6367	1.373	18	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)2(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	106.8090	0.000	1	106.8090	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]CN)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]CN)(CH3)2{4|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.2970	0.000	1	108.2970	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7240	0.000	1	109.1603	0.213	4	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3490	0.000	1	109.1603	0.213	4	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|N<2>,3|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.7450	0.000	1	109.1603	0.213	4	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|N<3>,3|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.8230	0.000	1	109.1603	0.213	4	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.8365	1.102	2	110.8365	1.215	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2{1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.4490	0.000	1	109.1790	2.315	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2{2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.0440	0.375	2	109.1790	2.315	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)2(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	106.6740	0.000	1	106.6740	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.2068	1.222	29	108.2068	1.494	29	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)2{1|C<3>,3|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.5230	0.000	1	108.5230	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.2735	0.708	4	108.5678	0.545	16	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,3|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.0683	0.696	7	108.5678	0.545	16	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.1600	0.000	1	108.5678	0.545	16	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,3|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.0880	0.439	4	108.5678	0.545	16	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	106.9410	0.953	2	106.9410	0.909	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C[6]C)(C[5]C[5]BrH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.8430	0.000	1	108.8430	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.1920	0.000	1	108.1920	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.9750	0.000	1	109.9750	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)2{4|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.9205	0.566	2	110.9205	0.321	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.6545	1.268	2	108.2107	1.732	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{3|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3230	0.000	1	108.2107	1.732	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.7120	0.563	2	108.7722	1.117	5	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.6005	0.643	2	108.7722	1.117	5	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{3|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.2360	0.000	1	108.7722	1.117	5	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.6412	0.987	4	110.4030	0.591	11	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.3070	0.354	2	110.4030	0.591	11	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1260	0.000	1	110.4030	0.591	11	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<4>,2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.5100	0.222	2	110.4030	0.591	11	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.0540	0.219	2	110.4030	0.591	11	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	106.2950	0.000	1	106.2950	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.1215	0.194	2	109.1215	0.038	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.1150	0.000	1	107.1150	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.5120	0.000	1	109.5120	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7010	0.484	2	109.7010	0.234	2	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.8278	0.535	4	109.4174	0.364	18	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.3448	0.609	4	109.4174	0.364	18	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7654	0.471	5	109.4174	0.364	18	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|N<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.0880	0.000	1	109.4174	0.364	18	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7110	0.000	1	109.4174	0.364	18	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7327	0.640	3	109.4174	0.364	18	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HN)(C[5]O[5]HH)(CH3)2{1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.7870	0.000	1	110.7870	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.7480	0.000	1	110.0347	0.062	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1770	0.000	1	110.0347	0.062	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<4>,1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	110.1790	0.000	1	110.0347	0.062	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	111.0486	0.572	8	111.0486	0.327	8	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.7283	0.374	3	107.7283	0.140	3	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.6860	0.000	1	108.6860	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.3730	0.000	1	108.3730	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.3970	0.000	1	108.3970	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2{2|C<3>,4|H<1>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.5870	0.000	1	109.5870	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	105.2940	0.000	1	105.2940	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	109.4120	0.000	1	109.4120	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2{2|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.0830	0.000	1	108.0830	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.7110	0.000	1	108.7110	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.8836	0.846	7	108.8836	0.716	7	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]NiC)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]NiC)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	107.3970	0.000	1	107.3970	0.000	1	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C(C[5]C[5]2C)(H)3	108.3478	1.105	4	108.3478	1.222	4	109.0846	1.659	240	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3)	C(C[5]C[5]2C)(H)2(I)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3){3|C<3>}	C(C[5]C[5]2C)(H)2(I)	C(C[5]C[5]2C)(H)3	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	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>}	C(C[5]C[5]S[5]C)(H)3	C(C[5]C[5]S[5]C)(H)3	111.7870	0.355	2	111.7870	0.126	2	111.7870	0.126	2	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](Ge[5]N[5]Te2)(C[5]C[5]HH)(CH3)2	C(C[5]Ge[5]C[5]C)(H)3	C(C[5]Ge[5]C[5]C)(H)3	C[5](Ge[5]N[5]Te2)(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>}	C(C[5]Ge[5]C[5]C)(H)3	C(C[5]Ge[5]C[5]C)(H)3	110.6953	0.787	4	110.6953	0.620	4	110.6953	0.620	4	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2	C(C[5]N[3,5]C[5]C)(H)3	C(C[5]N[3,5]C[5]C)(H)3	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>}	C(C[5]N[3,5]C[5]C)(H)3	C(C[5]N[3,5]C[5]C)(H)3	109.4770	0.000	1	109.4770	0.000	1	110.1350	0.384	3	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	C(C[5]N[3,5]C[5]C)(H)3	C(C[5]N[3,5]C[5]C)(H)3	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>}	C(C[5]N[3,5]C[5]C)(H)3	C(C[5]N[3,5]C[5]C)(H)3	110.4640	0.345	2	110.4640	0.119	2	110.1350	0.384	3	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3x5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2	C(C[5]N[3x5]C[5]C)(H)3	C(C[5]N[3x5]C[5]C)(H)3	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>}	C(C[5]N[3x5]C[5]C)(H)3	C(C[5]N[3x5]C[5]C)(H)3	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]GdO)(C[5]N[5]CC)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]GdO)(C[5]N[5]CC)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	111.6220	0.000	1	111.6220	0.000	1	110.5813	1.525	3	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	109.2170	0.000	1	109.2170	0.000	1	110.5813	1.525	3	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[5]C[5]TbO)(C[5]N[5]CC)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]TbO)(C[5]N[5]CC)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C(C[5]C[5]N[5]C)(H)3	110.9050	0.000	1	110.9050	0.000	1	110.5813	1.525	3	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]P[5]C)(H)3	C(C[5]C[5]P[5]C)(H)3	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>}	C(C[5]C[5]P[5]C)(H)3	C(C[5]C[5]P[5]C)(H)3	109.7600	0.984	2	109.7600	0.969	2	109.7600	0.969	2	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](Si[5,5]Si[5]C[5]2)(C[5]C[5,6]HH)(CH3)2	C(C[5]Si[5,5]C[5]C)(H)3	C(C[5]Si[5,5]C[5]C)(H)3	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>}	C(C[5]Si[5,5]C[5]C)(H)3	C(C[5]Si[5,5]C[5]C)(H)3	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	108.9846	1.957	379	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3)	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	C(C[5]C[3,5,6]C[5]C)(H)3	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>}	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	C(C[5]C[3,5,6]C[5]C)(H)3	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1: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)	C(C[5]C[5,5]C[5,6]C)(OH)(H)2	C(C[5]C[5,5]C[5,6]C)(H)3	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>}	C(C[5]C[5,5]C[5,6]C)(OH)(H)2	C(C[5]C[5,5]C[5,6]C)(H)3	106.0790	0.000	1	106.0790	0.000	1	106.0790	0.000	1	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3)	C(C[5]C[5,5]C[5]C)(OSi)(H)2	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(OSi)(H)2	C(C[5]C[5,5]C[5]C)(H)3	105.3050	0.000	1	105.3050	0.000	1	105.7950	0.480	2	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3)	C(C[5]C[5,5]C[5]C)(OC)(H)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[5,5]C[5]C)(OC)(H)2	C(C[5]C[5,5]C[5]C)(H)3	106.2850	0.000	1	106.2850	0.000	1	105.7950	0.480	2	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(OH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	105.5590	0.000	1	105.5590	0.000	1	107.7290	6.404	5	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(OH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	104.8470	0.000	1	104.8470	0.000	1	107.7290	6.404	5	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(OH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	108.6215	0.579	2	108.6215	0.335	2	107.7290	6.404	5	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3){1|C<3>,4|C<4>}	C(C[5]C[5,6]C[5]C)(OH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	110.9960	0.000	1	110.9960	0.000	1	107.7290	6.404	5	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3)	C(C[5]C[5]2C)(CC)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3){2|C<3>}	C(C[5]C[5]2C)(CC)(H)2	C(C[5]C[5]2C)(H)3	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3)	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	108.3190	0.000	1	108.3190	0.000	1	109.8738	1.524	4	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3)	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3){2|C<3>}	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	110.5490	0.000	1	110.5490	0.000	1	109.8738	1.524	4	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3)	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3){1|H<1>,1|N<3>}	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(H)3	111.1230	0.000	1	111.1230	0.000	1	109.8738	1.524	4	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3)	C(C[5]C[5]2C)(OSi)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(OSi)(H)2	C(C[5]C[5]2C)(H)3	109.5040	0.000	1	109.5040	0.000	1	109.8738	1.524	4	108.1252	4.989	14	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,5]HH)2(CHHO)2	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	110.6447	0.425	3	110.6447	0.180	3	111.3630	10.146	11	111.3630	10.146	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,5]HH)2(CHHO)2	C(C[5]C[5]2C)(OSi)(H)2	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2{2|C<3>}	C(C[5]C[5]2C)(OSi)(H)2	C(C[5]C[5]2C)(OSi)(H)2	110.3470	0.000	1	110.3470	0.000	1	111.3630	10.146	11	111.3630	10.146	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,5a]HH)2(CHHO)2	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	110.5250	0.000	1	110.5250	0.000	1	111.3630	10.146	11	111.3630	10.146	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,5a]HH)2(CHHO)2	C(C[5]C[5]2C)(OSi)(H)2	C(C[5]C[5]2C)(OS)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	C(C[5]C[5]2C)(OSi)(H)2	C(C[5]C[5]2C)(OS)(H)2	110.8560	0.000	1	110.8560	0.000	1	111.3630	10.146	11	111.3630	10.146	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,5a]HH)2(CHHO)2	C(C[5]C[5]2C)(OSi)(H)2	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	C(C[5]C[5]2C)(OSi)(H)2	C(C[5]C[5]2C)(OSi)(H)2	120.7640	0.000	1	120.7640	0.000	1	111.3630	10.146	11	111.3630	10.146	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,6,6]HH)2(CHHO)2	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6,6]HH)2(CHHO)2{2|C<4>}	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	108.8490	0.000	1	108.8490	0.000	1	111.3630	10.146	11	111.3630	10.146	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,6]HH)2(CHHO)2	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OC)(H)2	C(C[5]C[5]2C)(OC)(H)2	110.5250	0.000	1	110.5250	0.000	1	111.3630	10.146	11	111.3630	10.146	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5,6]HH)2(CHHO)2	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2{2|H<1>,2|S<2>}	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(OH)(H)2	111.2990	0.000	1	111.2990	0.000	1	111.3630	10.146	11	111.3630	10.146	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]HH)2(CHHO)2	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)2(CHHO)2{4|H<1>}	C(C[5]C[5]2C)(OH)(H)2	C(C[5]C[5]2C)(OH)(H)2	109.8940	0.000	1	109.8940	0.000	1	111.3630	10.146	11	111.3630	10.146	11	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CHHN)(CH3)	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C(C[5]C[5,5]C[5]C)(H)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>}	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C(C[5]C[5,5]C[5]C)(H)3	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:B[5]-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3)	C(C[5]C[5,6]C[5]C)(B[5]O[5]2)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(B[5]O[5]2)(H)2	C(C[5]C[5,6]C[5]C)(H)3	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CCH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CCH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	109.8965	0.199	2	109.8965	0.039	2	109.8965	0.039	2	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3)	C(C[5]C[5]2C)(CHN)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CHN)(H)2	C(C[5]C[5]2C)(H)3	110.2460	0.000	1	110.2460	0.000	1	109.9267	0.865	10	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	C(C[5]C[5]2C)(CNO)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(CNO)(H)2	C(C[5]C[5]2C)(H)3	110.1912	1.028	5	110.1912	1.057	5	109.9267	0.865	10	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	109.3170	0.000	1	110.0795	1.163	2	109.9267	0.865	10	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	110.8420	0.000	1	110.0795	1.163	2	109.9267	0.865	10	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3)	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(H)3	108.9530	0.024	2	108.9530	0.001	2	109.9267	0.865	10	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3)	C(C[5]C[5]2C)(NHH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3){2|C<3>}	C(C[5]C[5]2C)(NHH)(H)2	C(C[5]C[5]2C)(H)3	111.1080	0.000	1	111.1080	0.000	1	108.4100	3.442	4	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3)	C(C[5]C[5]2C)(NCS)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2C)(NCS)(H)2	C(C[5]C[5]2C)(H)3	106.8810	0.000	1	106.8810	0.000	1	108.4100	3.442	4	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(CHHN)(CH3)	C(C[5]C[5]2C)(NCS)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2C)(NCS)(H)2	C(C[5]C[5]2C)(H)3	107.8255	0.156	2	107.8255	0.024	2	108.4100	3.442	4	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:H-1:H-1:O-1:	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2	C(C[5]C[5]N[5]C)(ONiH)(H)2	C(C[5]C[5]N[5]C)(H)2(O)	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(ONiH)(H)2	C(C[5]C[5]N[5]C)(H)2(O)	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	109.7848	1.739	19	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO)	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO){1|C<4>,3|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C(C[5]C[5]2C)(OH)(H)2	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	109.8497	1.675	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2	C(C[5]C[5]N[5]C)(OCoH)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(OCoH)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	111.2690	0.000	1	111.2690	0.000	1	110.4070	1.486	2	109.8497	1.675	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2	C(C[5]C[5]N[5]C)(OZnH)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(OZnH)(H)2	C(C[5]C[5]N[5]C)(OH)(H)2	109.5450	0.000	1	109.5450	0.000	1	110.4070	1.486	2	109.8497	1.675	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N-3:H-1:H-1:	C[5](C[5]C[5]HH)2(CCHH)(CHHN)	C(C[5]C[5]2C)(CNO)(H)2	C(C[5]C[5]2C)(NCH)(H)2	C[5](C[5]C[5]HH)2(CCHH)(CHHN){4|H<1>}	C(C[5]C[5]2C)(CNO)(H)2	C(C[5]C[5]2C)(NCH)(H)2	111.1175	0.431	2	111.1175	0.185	2	110.7507	0.496	3	110.7507	0.496	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N-3:H-1:H-1:	C[5](C[5]C[5]HH)2(CCHH)(CHHN)	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(NCH)(H)2	C[5](C[5]C[5]HH)2(CCHH)(CHHN){4|H<1>}	C(C[5]C[5]2C)(COO)(H)2	C(C[5]C[5]2C)(NCH)(H)2	110.0170	0.000	1	110.0170	0.000	1	110.7507	0.496	3	110.7507	0.496	3	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3)	C(C[5]C[5]2C)(CCH)(CNO)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3){2|C<3>}	C(C[5]C[5]2C)(CCH)(CNO)(H)	C(C[5]C[5]2C)(H)3	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:3:3:2:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:C-3:O-2:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3)	C(C[5]C[5]2C)(CC[5]H)(CCC)(OH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3){1|O<1>}	C(C[5]C[5]2C)(CC[5]H)(CCC)(OH)	C(C[5]C[5]2C)(H)3	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3)	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3){3|H<1>}	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	C(C[5]C[3,5]C[5]C)(H)3	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]Cl)(CCHH)(CH3)	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	C(C[5]C[5,5]C[5,6]C)(H)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>}	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	C(C[5]C[5,5]C[5,6]C)(H)3	111.9370	0.000	1	111.9370	0.000	1	111.9370	0.000	1	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]O[5]HH)(CCHH)(CH3)	C(C[5]C[5,5]C[5]C)(CF3)(H)2	C(C[5]C[5,5]C[5]C)(H)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>}	C(C[5]C[5,5]C[5]C)(CF3)(H)2	C(C[5]C[5,5]C[5]C)(H)3	111.6020	0.000	1	111.6020	0.000	1	111.4260	0.027	3	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3)	C(C[5]C[5,5]C[5]C)(CH3)(H)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3){2|C<4>,2|O<1>}	C(C[5]C[5,5]C[5]C)(CH3)(H)2	C(C[5]C[5,5]C[5]C)(H)3	111.4010	0.000	1	111.4010	0.000	1	111.4260	0.027	3	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3)	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3){2|C<3>,2|O<1>}	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	C(C[5]C[5,5]C[5]C)(H)3	111.2750	0.000	1	111.2750	0.000	1	111.4260	0.027	3	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)(CC[5]HH)(CH3)	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	C(C[5]C[5,5]C[5]C)(H)3	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	111.3960	0.000	2	111.3960	0.000	2	110.0955	1.514	6	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	109.7935	1.070	2	109.7935	1.145	2	110.0955	1.514	6	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	108.4390	0.000	1	108.4390	0.000	1	110.0955	1.514	6	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	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>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(H)3	109.7550	0.000	1	109.7550	0.000	1	110.0955	1.514	6	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(CH3)	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	108.4740	0.000	2	108.4740	0.000	2	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	110.5870	0.000	1	110.4395	0.044	2	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	110.2920	0.000	1	110.4395	0.044	2	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[3]HH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	C(C[5]C[5]2C)(CC[3]HH)(H)2	C(C[5]C[5]2C)(H)3	106.1800	0.242	2	106.1800	0.058	2	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	C(C[5]C[5]2C)(CCHO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2C)(CCHO)(H)2	C(C[5]C[5]2C)(H)3	109.8320	0.000	1	109.8320	0.000	1	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[5]HO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2C)(CC[5]HO)(H)2	C(C[5]C[5]2C)(H)3	111.4350	0.000	1	111.4350	0.000	1	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[5]C[5]2C)(H)3	109.9400	0.815	2	109.9400	0.664	2	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3)	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C(C[5]C[5]2C)(H)3	110.0660	0.000	2	110.0660	0.000	2	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3)	C(C[5]C[5]2C)(CHHO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3){1|O<1>}	C(C[5]C[5]2C)(CHHO)(H)2	C(C[5]C[5]2C)(H)3	112.4090	0.182	2	112.4090	0.033	2	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3)	C(C[5]C[5]2C)(CHHO)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(CHHO)(H)2	C(C[5]C[5]2C)(H)3	108.2550	0.000	1	108.2550	0.000	1	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3)	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(H)3	111.6270	0.000	1	111.6270	0.000	1	109.7604	3.567	16	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	110.2575	0.026	2	110.2575	0.001	2	109.5317	1.078	10	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CC[5]HH)(CH3)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	107.2030	0.000	1	107.2030	0.000	1	109.5317	1.078	10	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]HH)(CH3)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	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>}	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	110.4810	0.000	1	110.4810	0.000	1	109.5317	1.078	10	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	109.6523	0.482	3	109.6523	0.232	3	109.5317	1.078	10	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	108.9220	0.000	1	108.9220	0.000	1	109.5317	1.078	10	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){4|H<1>}	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C(C[5]C[5]2C)(H)3	110.4650	0.000	1	110.4650	0.000	1	109.5317	1.078	10	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){1|O<2>,3|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C(C[5]C[5]2C)(H)3	108.7740	0.000	1	108.7740	0.000	1	109.5317	1.078	10	109.9367	2.303	38	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HO)2(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HO)2(CCHH)2{1|C<4>,3|H<1>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	111.0880	0.000	1	111.0880	0.000	1	110.1698	0.856	5	110.1698	0.856	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	110.6600	0.272	2	110.6600	0.074	2	110.1698	0.856	5	110.1698	0.856	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C(C[5]C[5]2C)(CH3)(H)2	109.2205	0.472	2	109.2205	0.222	2	110.1698	0.856	5	110.1698	0.856	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3)	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C(C[5]C[5,5]C[5]C)(H)3	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>}	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C(C[5]C[5,5]C[5]C)(H)3	106.5990	0.000	1	106.5990	0.000	1	106.5990	0.000	1	109.5640	3.980	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(C[5]C[5]2C)(H)3	109.5910	0.000	1	109.5910	0.000	1	110.6525	2.254	2	109.5640	3.980	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3)	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3){1|O<1>}	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C(C[5]C[5]2C)(H)3	111.7140	0.000	1	111.7140	0.000	1	110.6525	2.254	2	109.5640	3.980	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3){1|O<2>,3|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C(C[5]C[5]2C)(H)3	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	109.5640	3.980	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:N[5]-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3)	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3){2|H<1>}	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C(C[5]C[5]N[5]C)(H)3	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	109.5640	3.980	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO)	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO){1|O<2>,3|H<1>}	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	C(C[5]C[5]2C)(OH)(H)2	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-3:H-1:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO)	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]C)(CCH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO){2|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]C)(CCH)(H)2	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(CCCH)(CH3)	C(C[5]C[5]2C)(CCCH)(CCH)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CCCH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2C)(CCCH)(CCH)(H)	C(C[5]C[5]2C)(H)3	111.3030	0.154	2	111.3030	0.024	2	111.3030	0.024	2	111.3030	0.024	2	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3)	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(C[5]C[5]2C)(H)3	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2{2|C<4>,5|B<6>,5|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	107.8260	0.396	4	108.0300	0.326	5	108.0300	0.326	5	108.0300	0.326	5	110.7439	3.771	6539	110.4824	4.361	7168
474	490	490	0:SP3_SP3_SP3	C[5]	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2{3|C<4>,4|H<1>,5|B<6>}	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	108.8460	0.000	1	108.0300	0.326	5	108.0300	0.326	5	108.0300	0.326	5	110.7439	3.771	6539	110.4824	4.361	7168