466	643	658	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	Si[6]	3:3:4:4:	4:3:3:	4:3:4:1:	C[6,6a]-3:C[6,6a]-3:Si[6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	Si[6](C[6,6]C[6,6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,5|C<3>,5|H<1>}	Si[6](C[6,6]C[6,6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|C<4>,7|C<3>}	113.2435	0.575	2	113.2435	0.330	2	113.2435	0.330	2	113.2435	0.330	2	113.2435	0.330	2	112.0545	8.053	6
466	643	658	0:SP3_SP2_SP3	C[6,6]	C[6a]	Si[6]	4:4:3:4:	4:3:3:	4:2:4:4:	C[6,6]-4:Si[6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6,6]C[6,6]Si[6]C[6])(C[6a]C[6a]H)2	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH){1|Si<4>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6]C[6,6]Si[6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	112.0545	8.053	6
466	643	658	0:SP3_SP2_SP3	C[6]	C[6a]	Si[6]	3:4:3:2:	4:3:3:	4:2:4:4:	C[6]-3:Si[6]-4:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:C-4:C-4:	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr)	C[6a](C[6]Si[6]C[6]O)(C[6a]C[6a]H)2	Si[6](C[6]C[6a]C[6]O)(N[6]C[6])(CH3)2	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6]Si[6]C[6]O)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	Si[6](C[6]C[6a]C[6]O)(N[6]C[6])(CH3)2{1|C<4>,4|C<3>}	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	112.8757	5.822	3	112.0545	8.053	6
466	643	658	0:SP3_SP2_SP3	C[6]	C[6a]	Si[6]	4:3:2:1:	4:3:3:	3:4:4:4:	Si[6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]Si[6]S[6]H)(C[6a]C[6a]H)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H)(CH3)2	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6]Si[6]S[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	114.2670	0.168	2	114.2670	0.028	2	114.2670	0.028	2	114.2670	0.028	2	112.8757	5.822	3	112.0545	8.053	6
466	643	658	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	Si[6,6]	3:3:4:1:	4:3:3:	4:4:4:4:	C[6,6,6a]-3:C[6,6,6a]-3:Si[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:Si[6,6]-4:Si-4:Si-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	Si[6,6](C[3x6]C[6,6,6a]2H)(Si[6,6]C[3x6]Si2)(SiC3)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H){2|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|Si<4>,3|C<3>,3|H<1>}	Si[6,6](C[3x6]C[6,6,6a]2H)(Si[6,6]C[3x6]Si2)(SiC3)2{1|H<1>,4|C<3>}	108.6260	1.039	4	108.6260	1.079	4	108.6260	1.079	4	108.6260	1.079	4	108.6260	1.079	4	109.3340	1.710	10
466	643	658	6:SP3_SP2_SP3	C[6]	C[6,6a]	Si[6]	3:4:1:1:	3:4:3:	3:4:4:4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	Si[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Si[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HH)(CH3)2{5|C<3>}	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.8060	1.763	6	109.3340	1.710	10
466	643	658	6:SP3_SP2_SP3	C[6]	C[6,6a]	Si[6]	3:4:1:1:	3:4:3:	4:3:4:4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2{3|C<3>}	110.6315	1.756	2	110.6315	3.083	2	110.5847	1.548	3	110.5847	1.548	3	109.8060	1.763	6	109.3340	1.710	10
466	643	658	6:SP3_SP2_SP3	C[6]	C[6,6a]	Si[6]	3:4:1:1:	3:4:3:	4:3:4:4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	Si[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Si[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CH3)2{5|C<3>}	110.4910	0.000	1	110.4910	0.000	1	110.5847	1.548	3	110.5847	1.548	3	109.8060	1.763	6	109.3340	1.710	10
466	643	658	6:SP3_SP2_SP3	C[6]	C[6,6a]	Si[6]	3:4:4:4:	3:4:3:	3:4:3:1:	C[6,6a]-3:Si[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	B[5a,6]-3:C[6]-4:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	Si[6](B[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CC)(NC[6a]Si)(H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Si[6](B[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CC)(NC[6a]Si)(H){5|C<3>}	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	109.8060	1.763	6	109.3340	1.710	10
466	643	658	6:SP3_SP2_SP3	C[6]	C[6,6a]	Si[6]	4:3:1:1:	3:4:3:	4:4:3:3:	Si[6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{3|C<4>,6|C<3>,6|H<1>}	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	109.8060	1.763	6	109.3340	1.710	10
466	643	727	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[5a,6]	4:3:3:4:	4:3:3:	4:3:3:	C[3x6]-4:C[5a,6]-3:C[6,6,6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[5a,6]-3:C[5a]-3:	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[5a,6]C[3x6]C[6])(C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6])	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){1|S<2>,2|C<4>,5|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[5a,6]C[3x6]C[6])(C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,1|S<2>,2|C<4>,5|C<3>,5|H<1>}	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H){2|C<4>,3|H<1>,5|C<3>}	109.8380	1.302	2	109.8380	1.696	2	109.8380	1.696	2	109.8380	1.696	2	109.8380	1.696	2	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6]-4:N[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a])	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){4|C<3>,4|C<4>}	114.9230	0.000	1	114.9230	0.000	1	114.9230	0.000	1	115.5575	0.805	2	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){2|H<1>,8|C<3>}	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	115.5575	0.805	2	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]N[6,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6a]N[6,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:2:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|H<1>,1|N<2>,1|N<3>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	109.6730	0.000	1	110.1245	0.408	2	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	110.5760	0.000	1	110.1245	0.408	2	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<2>,2|C<4>,5|C<3>}	115.8640	0.000	1	115.8640	0.000	1	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|C<4>,4|C<3>}	115.4860	0.000	1	115.3400	0.043	2	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	115.1940	0.000	1	115.3400	0.043	2	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){2|C<4>,6|C<3>}	116.1120	0.000	1	116.1120	0.000	1	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,2|C<4>,3|C<3>}	115.5770	0.513	2	115.2502	0.288	4	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	115.2180	0.000	1	115.2502	0.288	4	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	114.6290	0.000	1	115.2502	0.288	4	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	115.5650	0.000	1	115.5650	0.000	1	114.4974	4.886	11	114.4974	4.886	11	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:4:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	114.4600	0.000	1	114.4600	0.000	1	114.4600	0.000	1	113.1590	1.511	4	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:4:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	111.5310	0.000	1	112.5580	2.109	2	112.7253	1.139	3	113.1590	1.511	4	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:4:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	113.5850	0.000	1	112.5580	2.109	2	112.7253	1.139	3	113.1590	1.511	4	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6]	3:3:4:4:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<4>,4|C<3>}	113.0600	0.000	1	113.0600	0.000	1	112.7253	1.139	3	113.1590	1.511	4	114.1246	4.031	20	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[5a,6]	3:4:3:2:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6,6]C[5a,6]C[6,6]O[6])(C[6a]C[6a]H)2	C[5a,6](C[6,6]C[6,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6]C[5a,6]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	112.7280	0.457	2	112.7280	0.209	2	112.7280	0.209	2	112.7280	0.209	2	112.7280	0.209	2	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:2:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6,6a]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|C<4>}	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:2:3:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]O[6]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]O[6]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	113.4850	0.000	1	113.4850	0.000	1	113.4850	0.000	1	113.4850	0.000	1	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<2>,2|H<1>,5|C<3>}	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	113.1164	2.726	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	113.7860	0.000	1	113.7860	0.000	1	113.7103	1.950	6	113.1164	2.726	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	113.1330	1.420	2	113.1330	2.016	2	113.7103	1.950	6	113.1164	2.726	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	113.9990	0.000	1	113.9990	0.000	1	113.7103	1.950	6	113.1164	2.726	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	112.2800	0.000	1	112.2800	0.000	1	113.7103	1.950	6	113.1164	2.726	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	115.9310	0.000	1	115.9310	0.000	1	113.7103	1.950	6	113.1164	2.726	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	111.2680	1.758	2	111.2680	3.090	2	111.2680	3.090	2	113.1164	2.726	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	4:2:2:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|S<2>,5|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,4|C<3>}	110.4400	0.865	2	110.4400	0.749	2	110.4400	0.749	2	111.1493	2.472	13	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,5|C<3>}	112.3410	0.000	1	112.3410	0.000	1	111.0613	4.201	6	111.1493	2.472	13	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,3|C<3>}	110.3550	0.000	1	109.8953	0.823	4	111.0613	4.201	6	111.1493	2.472	13	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,3|C<3>}	109.7420	1.046	3	109.8953	0.823	4	111.0613	4.201	6	111.1493	2.472	13	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H){2|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	114.4460	0.000	1	114.4460	0.000	1	111.0613	4.201	6	111.1493	2.472	13	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	111.5410	0.000	1	112.5320	1.964	2	111.5386	1.525	5	111.1493	2.472	13	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	113.5230	0.000	1	112.5320	1.964	2	111.5386	1.525	5	111.1493	2.472	13	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){4|C<3>}	110.8763	0.650	3	110.8763	0.422	3	111.5386	1.525	5	111.1493	2.472	13	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	4:3:3:	3:4:2:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]H)(C[6]C[6,6a]2H)(O[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H){1|S<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[6]C[6,6a]2H)(O[5a]C[5a,6a]){6|C<3>}	112.0680	1.871	2	112.0680	3.501	2	112.0680	3.501	2	112.0680	3.501	2	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:Cl-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl)	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]2Cl)(C[5a]C[5a]C)(N[5a]O[5a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]2Cl)(C[5a]C[5a]C)(N[5a]O[5a]){1|C<4>,4|C<3>}	110.9470	0.739	3	110.9470	0.547	3	110.9470	0.547	3	110.6288	2.684	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a](C[6]C[6,6a]2H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H){1|H<1>,2|O<2>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]2H)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	109.3445	0.969	4	109.3445	0.939	4	109.3445	0.939	4	110.6288	2.684	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:N[6,6]-3:C[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H)	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[5a](C[6]C[6,6a]N[6,6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|S<2>,3|C<3>,3|C<4>}	C[5a](C[6]C[6,6a]N[6,6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	112.7200	1.385	2	112.7200	1.917	2	112.7200	1.917	2	110.6288	2.684	9	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:2:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]C[6]O)(C[5a]N[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]C[6]O)(C[5a]N[5a]H)(S[5a]C[5a]){1|O<1>,1|O<2>,3|C<3>}	108.3600	0.000	1	108.3600	0.000	1	108.3600	0.000	1	108.3600	0.000	1	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[5a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]N[6]C)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]N[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]N[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a](C[6]C[6,6a]N[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,5|C<3>}	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	109.2453	5.228	3	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]2C[6])(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2{2|C<4>,2|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]2C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,7|C<3>}	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,5|C<3>}	110.1610	2.329	2	110.1610	5.425	2	110.1610	5.425	2	109.2453	5.228	3	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H){2|H<1>,2|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	114.8250	0.000	1	114.8250	0.000	1	114.0378	2.533	4	114.0378	2.533	4	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	111.7490	0.000	1	111.7490	0.000	1	114.0378	2.533	4	114.0378	2.533	4	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	114.7885	0.783	2	114.7885	0.613	2	114.0378	2.533	4	114.0378	2.533	4	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|H<1>,4|C<3>}	112.5640	0.000	1	112.5640	0.000	1	112.1190	0.396	2	112.5072	1.234	4	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	111.6740	0.000	1	111.6740	0.000	1	112.1190	0.396	2	112.5072	1.234	4	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<4>,4|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	111.7330	0.000	1	111.7330	0.000	1	112.8955	2.703	2	112.5072	1.234	4	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|S<2>,4|C<3>,4|H<1>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,4|H<1>}	114.0580	0.000	1	114.0580	0.000	1	112.8955	2.703	2	112.5072	1.234	4	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.9530	0.000	1	111.9530	0.000	1	111.9530	0.000	1	113.5085	4.839	2	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	115.0640	0.000	1	115.0640	0.000	1	115.0640	0.000	1	113.5085	4.839	2	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	111.0590	0.000	1	111.0590	0.000	1	111.0590	0.000	1	111.0590	0.000	1	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a]	3:4:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H)	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,6|C<3>}	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<2>,4|C<3>}	109.4038	0.395	4	109.4038	0.156	4	109.4038	0.156	4	109.4038	0.156	4	111.6220	4.054	56	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){7|C<3>}	114.0837	1.650	3	114.0837	2.723	3	114.0837	2.723	3	113.7916	1.029	7	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,6|C<3>}	113.5820	0.375	3	113.5820	0.141	3	113.5820	0.141	3	113.7916	1.029	7	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H){1|C<4>,4|C<3>,4|H<1>}	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	113.7916	1.029	7	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]O[6]H)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]O[6]H)(N[5a]O[5a]){1|C<4>,2|H<1>,3|C<3>}	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	113.7735	10.529	2	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a]){6|C<3>}	116.0680	0.000	1	116.0680	0.000	1	116.0680	0.000	1	113.7735	10.529	2	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	112.3510	0.000	1	112.3510	0.000	1	112.3510	0.000	1	113.9746	0.777	7	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	114.5560	0.000	1	114.5560	0.000	1	114.0485	0.515	2	113.9746	0.777	7	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	113.5410	0.000	1	113.5410	0.000	1	114.0485	0.515	2	113.9746	0.777	7	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,4|C<3>}	114.8260	0.000	2	114.4697	0.381	3	114.4697	0.381	3	113.9746	0.777	7	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	113.7570	0.000	1	114.4697	0.381	3	114.4697	0.381	3	113.9746	0.777	7	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:2:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]C[5a,6]S[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	113.9746	0.777	7	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<1>,2|C<4>,5|C<3>}	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,5|C<3>}	116.2430	0.000	1	116.2430	0.000	1	115.5540	0.949	2	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	114.8650	0.000	1	114.8650	0.000	1	115.5540	0.949	2	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,4|H<1>,5|C<3>}	111.4030	0.000	1	111.4030	0.000	1	111.4030	0.000	1	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[6a]O[5a])(C[6]C[6a]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[6a]O[5a])(C[6]C[6a]N[6]H){1|C<4>,1|N<2>,5|C<3>}	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,4|H<1>,5|C<3>}	113.4050	0.000	1	113.4050	0.000	1	113.8510	7.339	4	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){3|C<4>,3|H<1>,4|C<3>}	110.1930	0.000	1	110.1930	0.000	1	113.8510	7.339	4	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	115.9030	0.129	2	115.9030	0.017	2	113.8510	7.339	4	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	115.5360	0.000	1	115.5360	0.000	1	115.5360	0.000	1	114.1375	3.750	11	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<2>,5|C<3>}	113.0140	0.000	1	110.4882	2.338	5	110.4882	2.338	5	110.4882	2.338	5	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){6|C<3>}	110.4240	0.000	1	110.4882	2.338	5	110.4882	2.338	5	110.4882	2.338	5	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){6|C<3>}	109.6677	0.689	3	110.4882	2.338	5	110.4882	2.338	5	110.4882	2.338	5	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	111.5515	0.248	2	111.5515	0.062	2	110.3858	1.911	4	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	109.2200	0.486	2	109.2200	0.237	2	110.3858	1.911	4	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){5|C<3>}	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	112.1950	0.000	1	111.7127	1.411	8	111.5384	1.508	9	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,4|C<3>}	112.8810	0.000	1	111.7127	1.411	8	111.5384	1.508	9	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	112.9210	0.000	1	111.7127	1.411	8	111.5384	1.508	9	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|O<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	110.4870	0.000	1	111.7127	1.411	8	111.5384	1.508	9	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){5|C<3>}	111.3045	1.245	4	111.7127	1.411	8	111.5384	1.508	9	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|H<1>,5|C<3>}	110.1440	0.000	1	110.1440	0.000	1	111.5384	1.508	9	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){3|H<1>,5|C<3>}	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,6|C<3>}	116.0590	0.000	1	116.0590	0.000	1	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	110.9390	0.000	1	111.6300	0.362	3	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	111.9755	0.090	2	111.6300	0.362	3	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	110.5190	0.000	1	110.5190	0.000	1	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,6|C<3>}	112.5670	0.615	4	113.0094	1.263	5	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	114.7790	0.000	1	113.0094	1.263	5	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	113.4470	0.000	1	113.4470	0.000	1	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	112.5450	0.000	1	112.5450	0.000	1	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	113.6230	0.000	1	113.6230	0.000	1	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	115.3710	0.000	1	114.2153	1.463	3	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	112.9580	0.000	1	114.2153	1.463	3	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	114.3170	0.000	1	114.2153	1.463	3	113.0485	2.336	16	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	115.7047	1.512	3	115.9635	1.792	4	115.9635	1.792	4	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	116.7400	0.000	1	115.9635	1.792	4	115.9635	1.792	4	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[5,6]C[6a]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[5,6]C[6a]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[5a,6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]N[5a,6]C[6a]H)(C[5a]S[5a]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]N[5a,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]N[5a,6]C[6a]H)(C[5a]S[5a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[6,6]C[6a]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[6,6]C[6a]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	107.7363	0.682	3	107.7363	0.464	3	107.7363	0.464	3	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	111.7420	0.000	1	112.2195	0.456	2	112.2195	0.456	2	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	112.6970	0.000	1	112.2195	0.456	2	112.2195	0.456	2	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	111.6460	0.000	1	111.6460	0.000	1	112.0838	0.723	6	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	111.9977	0.963	4	111.9977	0.928	4	112.0838	0.723	6	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	112.8660	0.000	1	112.8660	0.000	1	112.0838	0.723	6	112.2568	4.502	48	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:2:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[5a,6]-3:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2	C[5a,6](C[6]N[5,6]C[6a]H)(N[5a,6]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[6]N[5,6]C[6a]H)(N[5a,6]N[5a]C[6])(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	113.7100	0.000	1	113.7100	0.000	1	113.7100	0.000	1	113.7100	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){2|H<1>,4|C<3>}	111.2640	0.000	1	111.2640	0.000	1	111.4480	0.441	4	111.8062	1.573	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	112.3300	0.000	1	111.5093	0.638	3	111.4480	0.441	4	111.8062	1.573	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){2|H<1>,4|C<3>}	111.0990	0.516	2	111.5093	0.638	3	111.4480	0.441	4	111.8062	1.573	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){5|C<3>}	114.1040	0.000	1	112.5225	5.002	2	112.5225	5.002	2	111.8062	1.573	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){5|C<3>}	110.9410	0.000	1	112.5225	5.002	2	112.5225	5.002	2	111.8062	1.573	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6]C[5a,6]C[6,6a]O)(C[6a]C[6a]H)2	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){10|C<3>}	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|Br<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C){1|I<1>,2|H<1>,7|C<3>}	109.2435	1.073	2	109.3023	1.019	4	109.3023	1.019	4	109.3023	1.019	4	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|I<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C){1|I<1>,2|H<1>,7|C<3>}	109.3610	1.376	2	109.3023	1.019	4	109.3023	1.019	4	109.3023	1.019	4	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2	C[5a,6](C[6]C[6,6a]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,5|H<1>,8|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){11|C<3>,1|O<2>}	109.6085	0.117	2	109.6085	0.014	2	109.6085	0.014	2	109.6085	0.014	2	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:4:	4:3:2:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:4:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	112.0168	2.582	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:4:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.0480	0.000	1	112.8270	0.543	4	112.8270	0.543	4	112.0168	2.582	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:4:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.6330	1.215	2	112.8270	0.543	4	112.8270	0.543	4	112.0168	2.582	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:4:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.9940	0.000	1	112.8270	0.543	4	112.8270	0.543	4	112.0168	2.582	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:4:	4:3:3:	3:4:3:	C[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3){3|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H){3|H<1>,4|C<3>}	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	112.0168	2.582	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6]C[5a,6]C[6,6a]C)(C[6a]C[6a]H)2	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|O<1>,6|C<3>}	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	3:4:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,5|C<3>,5|H<1>}	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<2>,3|H<1>,5|C<3>}	113.2250	0.000	1	113.2250	0.000	1	113.2250	0.000	1	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	112.2430	0.000	1	112.2430	0.000	1	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,4|H<1>,5|C<3>}	112.2950	0.000	1	112.2950	0.000	1	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){3|C<4>,4|C<3>,4|H<1>}	113.3890	0.000	1	113.3890	0.000	1	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,6|C<3>}	113.6263	1.252	3	113.6263	1.566	3	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	111.3000	0.000	1	112.7823	1.976	3	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){3|C<4>,4|C<3>,4|H<1>}	112.9510	0.000	1	112.7823	1.976	3	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	114.0960	0.000	1	112.7823	1.976	3	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	115.8670	0.000	1	114.5673	2.366	3	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	113.9175	1.483	2	114.5673	2.366	3	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	113.3735	2.193	2	113.3735	4.808	2	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	113.2410	0.000	1	113.2410	0.000	1	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	115.2530	0.000	1	113.8035	4.202	2	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	112.3540	0.000	1	113.8035	4.202	2	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	113.2520	0.000	1	113.9478	1.134	5	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	113.5030	0.034	2	113.9478	1.134	5	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	115.8360	0.000	1	113.9478	1.134	5	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	113.6450	0.000	1	113.9478	1.134	5	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	113.0460	0.000	1	113.0460	0.000	1	113.5320	1.586	23	113.5192	1.521	24	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Br<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	111.0590	0.000	1	111.0590	0.000	1	112.5059	1.817	7	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	111.3490	0.000	1	111.3490	0.000	1	112.5059	1.817	7	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	112.2290	1.167	2	112.2290	1.361	2	112.5059	1.817	7	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	113.8250	0.000	1	113.8250	0.000	1	112.5059	1.817	7	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	113.4250	1.590	2	113.4250	2.527	2	112.5059	1.817	7	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	114.5200	0.000	1	113.1965	3.503	2	112.9350	1.957	3	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	111.8730	0.000	1	113.1965	3.503	2	112.9350	1.957	3	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	112.4120	0.000	1	112.4120	0.000	1	112.9350	1.957	3	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,6|H<1>}	116.3720	0.000	1	116.3720	0.000	1	116.3720	0.000	1	112.9435	2.548	12	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,3|C<3>,4|H<1>}	112.3650	0.339	2	112.3650	0.115	2	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O){1|C<4>,3|C<3>,4|H<1>}	113.9915	0.166	2	113.9300	0.025	3	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O){1|C<4>,3|H<1>,4|C<3>}	113.8070	0.000	1	113.9300	0.025	3	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]O[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]O[5a]C){1|C<4>,3|C<3>,3|H<1>}	112.3960	0.000	1	112.3960	0.000	1	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<2>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	114.0270	0.000	1	114.0270	0.000	1	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	114.9010	0.467	2	114.9010	0.218	2	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	111.7180	0.000	1	111.7180	0.000	1	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	112.6340	0.000	1	112.6340	0.000	1	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){3|H<1>,4|C<3>}	112.5135	0.449	4	112.5135	0.201	4	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<3>,2|H<1>,3|C<4>}	113.7820	0.000	1	113.7820	0.000	1	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|N<3>,2|H<1>,4|C<3>}	114.3550	0.000	1	114.3550	0.000	1	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	114.5600	0.000	1	114.5600	0.000	1	113.3249	1.102	18	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]S)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]S){2|C<4>,3|H<1>,4|C<3>}	113.9050	0.000	1	113.9050	0.000	1	113.9050	0.000	1	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,8|C<3>}	110.4590	0.000	1	110.4590	0.000	1	110.8890	0.370	2	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.3190	0.000	1	111.3190	0.000	1	110.8890	0.370	2	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	113.5370	0.000	1	113.5370	0.000	1	114.9600	4.050	2	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	116.3830	0.000	1	116.3830	0.000	1	114.9600	4.050	2	113.2805	1.848	23	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:2:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH)	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	113.4180	0.000	1	113.4180	0.000	1	113.4180	0.000	1	113.4180	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:3:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<2>,5|C<3>,5|H<1>}	114.5000	0.000	1	114.1388	1.261	5	114.1388	1.261	5	114.1388	1.261	5	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:3:	4:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<3>,5|C<3>,5|H<1>}	114.0485	1.275	4	114.1388	1.261	5	114.1388	1.261	5	114.1388	1.261	5	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:3:	4:3:3:	3:4:2:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]C)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]C)(O[5a]C[5a]){1|N<3>,2|C<3>,6|H<1>}	114.0130	0.000	1	114.0130	0.000	1	114.0130	0.000	1	114.0130	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:3:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.4395	0.132	2	113.4395	0.017	2	113.4395	0.017	2	112.8075	0.798	4	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:3:4:3:	4:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]C)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	112.1755	0.882	2	112.1755	0.778	2	112.1755	0.778	2	112.8075	0.798	4	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]C[6a]H){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	114.2174	1.175	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	114.1595	0.309	2	114.1595	0.095	2	114.1595	0.095	2	114.2174	1.175	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,2|C<2>,3|H<1>,5|C<3>}	115.7080	0.277	2	115.7080	0.077	2	114.1736	1.713	7	114.2174	1.175	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,4|C<3>}	114.2680	0.000	1	114.2680	0.000	1	114.1736	1.713	7	114.2174	1.175	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	113.3828	0.997	4	113.3828	0.994	4	114.1736	1.713	7	114.2174	1.175	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[5,6]C[6a]H)(O[5a]C[5a,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[5,6]C[6a]H)(O[5a]C[5a,6a]){1|O<2>,1|S<4>,2|C<4>,4|C<3>}	114.6330	0.000	1	114.6330	0.000	1	114.6330	0.000	1	113.5093	4.955	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(O[5a]C[5a]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.7170	0.000	1	113.7170	0.000	1	113.7170	0.000	1	113.5093	4.955	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	113.5093	4.955	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:2:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	111.1355	0.453	2	111.1355	0.205	2	111.1355	0.205	2	113.5093	4.955	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:2:	C[5a,6]-3:P[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]P[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]H)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]P[6]H)(C[6a]C[6a]H)2{1|S<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]H)(S[5a]C[5a]){1|S<1>,2|H<1>,5|C<3>}	116.9720	0.000	1	116.9720	0.000	1	116.9720	0.000	1	113.5093	4.955	6	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6]){1|C<4>,3|H<1>,7|C<3>}	113.7835	0.711	2	113.7835	0.505	2	113.2278	0.328	6	112.7081	2.223	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|S<1>,1|S<2>,2|N<3>,3|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6]){1|H<1>,2|C<4>,6|C<3>}	113.1970	0.000	1	113.1970	0.000	1	113.2278	0.328	6	112.7081	2.223	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6]){1|C<4>,3|H<1>,7|C<3>}	112.8677	0.251	3	112.8677	0.063	3	113.2278	0.328	6	112.7081	2.223	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	111.8520	3.113	2	112.4090	5.775	3	112.4090	5.775	3	112.7081	2.223	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	113.5230	0.000	1	112.4090	5.775	3	112.4090	5.775	3	112.7081	2.223	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	112.7081	2.223	10	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[5a,6](C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	112.9750	0.363	2	112.9750	0.132	2	112.9750	0.132	2	112.9750	0.132	2	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	3:4:3:2:	4:3:3:	3:4:2:	C[5a,6]-3:P[6]-4:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH)	C[6a](C[6]C[5a,6]P[6]O)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]O)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]P[6]O)(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]O)(S[5a]C[5a]){1|O<1>,2|H<1>,5|C<3>}	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	4:3:3:1:	4:3:2:	3:4:3:	C[4x6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H)	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6])	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6]){1|H<1>,1|N<3>,2|O<2>,3|C<4>,4|C<3>}	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a,6]	4:3:3:1:	4:3:3:	3:4:3:	C[5,6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]O[5a]C)	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]O[5a]C){1|O<2>,7|C<3>}	113.4120	0.850	2	113.4120	0.722	2	113.4120	0.722	2	113.4120	0.722	2	112.8666	3.484	206	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a]	3:3:2:3:	4:3:3:	4:3:2:	C[5a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[5a]C[6]O[6])(C[6a]C[6a]H)2	C[5a](C[6]C[6a]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){4|H<1>,6|C<3>}	C[6a](C[6]C[5a]C[6]O[6])(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[5a](C[6]C[6a]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	112.1630	0.662	2	112.1630	0.438	2	112.1630	0.438	2	112.1630	0.438	2	111.2672	1.552	4	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:N[6]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6]C[5a]N[6]2)(C[6a]C[6a]H)2	C[5a](C[6]C[6a]N[6]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5a]N[6]2)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[5a](C[6]C[6a]N[6]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,6|C<3>}	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	111.2672	1.552	4	112.6691	4.000	290
466	643	727	0:SP3_SP2_SP2	C[6]	C[6a]	C[5a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](C[6]C[5a]C[6]N[6])(C[6a]C[6a]H)2	C[5a](C[6]C[6a]C[6]N[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|S<2>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a]C[6]N[6])(C[6a]C[6a]H)2{5|C<3>,5|H<1>}	C[5a](C[6]C[6a]C[6]N[6])(C[5a]C[5a]H)(C[5a]S[5a]H){4|C<3>,4|H<1>}	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	111.2672	1.552	4	112.6691	4.000	290
466	643	727	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[5a,6,6]	3:3:3:1:	4:3:3:	3:4:2:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[3x6]-4:N[5a]-2:	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5a,6,6](C[5a,6,6]C[3x6]N[5a])(C[3x6]C[6,6,6a]2H)(N[5a]N[5a])	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]N[5a])(C[3x6]C[6,6,6a]2H)(N[5a]N[5a]){1|H<1>,5|C<3>}	103.7927	0.887	23	103.7927	0.786	23	103.7927	0.786	23	103.7927	0.786	23	104.1776	1.017	46	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[5a,6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C){1|Ni<4>,1|H<1>,5|C<3>}	104.8407	0.765	8	104.6657	0.985	16	104.5625	0.983	23	104.5625	0.983	23	104.1776	1.017	46	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[5a,6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C){1|Zn<4>,1|H<1>,5|C<3>}	104.4906	1.207	8	104.6657	0.985	16	104.5625	0.983	23	104.5625	0.983	23	104.1776	1.017	46	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[5a,6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C){1|Zn<4>,1|H<1>,5|C<3>}	104.3267	1.024	7	104.3267	1.049	7	104.5625	0.983	23	104.5625	0.983	23	104.1776	1.017	46	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	108.7620	0.000	1	108.7620	0.000	1	109.2582	0.304	10	109.2582	0.304	10	109.2060	0.304	11	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	108.4260	0.030	2	108.4260	0.001	2	109.2582	0.304	10	109.2582	0.304	10	109.2060	0.304	11	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.2660	0.000	1	109.6953	0.140	3	109.2582	0.304	10	109.2582	0.304	10	109.2060	0.304	11	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	109.9100	0.065	2	109.6953	0.140	3	109.2582	0.304	10	109.2582	0.304	10	109.2060	0.304	11	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.3320	0.000	1	109.3320	0.000	1	109.2582	0.304	10	109.2582	0.304	10	109.2060	0.304	11	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	109.6800	0.000	1	109.5365	0.041	2	109.2582	0.304	10	109.2582	0.304	10	109.2060	0.304	11	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|Si<4>,1|O<1>,3|C<3>,3|H<1>}	109.3930	0.000	1	109.5365	0.041	2	109.2582	0.304	10	109.2582	0.304	10	109.2060	0.304	11	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	109.4770	0.000	1	109.4770	0.000	1	109.2582	0.304	10	109.2582	0.304	10	109.2060	0.304	11	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5a,6,6]	3:4:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[5a,6,6]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3)	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[5a,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	109.2060	0.304	11	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6,6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6,6a]HH){1|C<4>,1|O<1>,4|C<3>}	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	109.9260	28.834	2	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	106.1290	0.000	1	106.1290	0.000	1	106.1290	0.000	1	109.9260	28.834	2	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:1:1:	3:4:3:	3:4:2:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(S[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	112.2550	0.778	2	112.2550	0.605	2	112.2550	0.605	2	112.2550	0.605	2	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6a]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6a]HH)(C[5a]N[5a]H){1|H<1>,3|C<3>}	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:2:1:	3:4:3:	3:4:3:	C[5a,6]-3:C[6,6a]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]CH)(C[5a]C[5a]H){2|C<3>,3|H<1>}	112.8430	0.416	2	112.8430	0.173	2	112.8430	0.173	2	112.8430	0.173	2	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:3:1:	3:3:4:	3:4:3:	C[5a,6]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH){4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C){3|C<3>}	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N)	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N){1|C<4>,5|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){5|C<3>}	107.3410	0.000	1	107.3410	0.000	1	106.6600	0.928	2	106.6600	0.928	2	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){6|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){5|C<3>}	105.9790	0.000	1	105.9790	0.000	1	106.6600	0.928	2	106.6600	0.928	2	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){10|C<3>}	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6]C[6,6a]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,5|H<1>,8|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,8|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){11|C<3>,1|O<2>}	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|O<1>,6|C<3>}	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:4:1:	3:4:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH){1|S<4>,2|H<1>,4|C<3>}	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	109.8702	5.821	16	106.1830	8.877	73
466	643	727	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:4:1:	3:4:3:	3:4:3:	C[5a,6]-3:C[6,6a]-3:P-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(C[6]C[6,6a]HP)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(C[6]C[6,6a]HP)(C[5a]N[5a]H){1|C<4>,3|C<3>}	109.6575	0.357	2	109.6575	0.128	2	109.6575	0.128	2	109.6575	0.128	2	109.8702	5.821	16	106.1830	8.877	73
466	643	746	6:SP3_SP2_SPD5	C[3x6]	C[6,6a]	P[3x6]	3:3:3:5:	4:3:3:	4:2:2:2:1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:P[3x6]-5:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:O[6]-2:O[6]-2:O[6]-2:H-1:	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H)	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H)	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H){3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|O<2>,4|H<1>,5|C<3>}	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H){6|C<3>,6|H<1>}	108.8850	0.447	3	108.8850	0.200	3	108.8850	0.200	3	108.8850	0.200	3	108.8850	0.200	3	108.8850	0.200	3
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6]	3:4:4:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	108.4620	0.000	1	106.3205	9.172	2	107.5198	5.310	4	107.5198	5.310	4	107.5198	5.310	4	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6]	3:4:4:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	104.1790	0.000	1	106.3205	9.172	2	107.5198	5.310	4	107.5198	5.310	4	107.5198	5.310	4	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6]	3:4:4:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|O<2>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.4280	0.000	1	108.7190	1.005	2	107.5198	5.310	4	107.5198	5.310	4	107.5198	5.310	4	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6]	3:4:4:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,3|C<3>,3|O<2>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	108.0100	0.000	1	108.7190	1.005	2	107.5198	5.310	4	107.5198	5.310	4	107.5198	5.310	4	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6,6]	3:4:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H){2|C<3>,3|C<4>,5|H<1>}	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.6530	0.000	1	113.6530	0.000	1	113.6530	0.000	1	113.6530	0.000	1	111.2160	7.194	7	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6]	3:4:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:O[6]-2:O-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(O[6]C[6])(O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|I<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>,3|O<1>,3|O<2>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(O[6]C[6])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	111.2160	7.194	7	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6]	3:4:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6]-3:O-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]H)(O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|I<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>,3|O<1>,3|O<2>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	108.6970	0.594	2	111.2160	7.194	7	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6]	3:4:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x6]C[6,6a]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[3x6]C[6,6a]C[6,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	108.6970	0.594	2	111.2160	7.194	7	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6]	3:4:4:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:O[6]-2:O-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[3x6]C[6,6a]C[6,6]2)(O[6]C[6])(O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[3x6]C[6,6a]C[6,6]2)(O[6]C[6])(O){2|C<4>,4|C<3>,4|H<1>}	109.5525	0.002	2	109.5525	0.000	2	109.5525	0.000	2	109.5525	0.000	2	111.2160	7.194	7	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6]	3:4:4:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	114.8260	0.000	1	114.8260	0.000	1	114.8260	0.000	1	114.8260	0.000	1	111.2160	7.194	7	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[5,6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	115.4110	0.000	1	115.4110	0.000	1	115.4110	0.000	1	113.8012	5.556	15	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,7|C<3>}	112.9470	3.705	2	113.1882	4.912	10	113.1882	4.912	10	113.8012	5.556	15	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Fe<8>,1|H<1>,7|C<3>}	113.1105	2.815	2	113.1882	4.912	10	113.1882	4.912	10	113.8012	5.556	15	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,1|W<6>,7|C<3>}	112.7665	2.204	2	113.1882	4.912	10	113.1882	4.912	10	113.8012	5.556	15	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Se<1>,1|H<1>,7|C<3>}	113.5585	2.357	4	113.1882	4.912	10	113.1882	4.912	10	113.8012	5.556	15	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	114.9313	2.715	4	114.9313	7.370	4	114.9313	7.370	4	113.8012	5.556	15	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	3:4:2:3:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	114.4990	0.000	1	114.4990	0.000	1	114.4990	0.000	1	114.4990	0.000	1	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	3:4:3:3:	4:3:3:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(O){2|C<4>,2|H<1>,4|C<3>}	111.4930	0.049	2	111.4930	0.002	2	111.4930	0.002	2	111.4930	0.002	2	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	4:3:2:3:	4:3:3:	4:3:1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[3x6]C[5,6,6]C[6,6]O[6,6])(C[6a]C[6a]H)2	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[3x6]C[5,6,6]C[6,6]O[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,3|C<3>}	115.6580	0.000	1	115.6580	0.000	1	115.6580	0.000	1	113.7155	7.547	2	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	4:3:2:3:	4:3:3:	4:3:1:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|C<4>,3|C<3>,3|H<1>}	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	113.7155	7.547	2	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6,6]	4:3:3:3:	4:3:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	112.5375	0.935	4	112.5375	0.875	4	112.5375	0.875	4	112.5375	0.875	4	113.4202	4.435	24	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[3x6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3x6]-4:C[3x6]-4:C[6a]-3:C[6]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[3x6]C[3x6]2C[6])(C[6a]C[6a]H)2	C[6](C[3x6]C[3x6]2C[6a])(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[3x6]C[3x6]2C[6])(C[6a]C[6a]H)2{3|C<4>,4|C<3>,4|H<1>}	C[6](C[3x6]C[3x6]2C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[4x6]	C[6,6a]	C[6,6]	3:3:3:2:	4:3:3:	4:3:3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	114.9955	2.508	4	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[4x6]	C[6,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H){1|H<1>,6|C<3>}	115.8990	0.202	2	115.8990	0.041	2	115.8990	0.041	2	115.8990	0.041	2	114.9955	2.508	4	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[4x6]	C[6,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,6|C<3>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,9|C<3>}	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	114.9955	2.508	4	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H){2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	117.1560	0.345	2	117.1560	0.119	2	117.1560	0.119	2	117.1560	0.119	2	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	110.1520	0.000	1	110.1520	0.000	1	111.8390	2.007	6	111.8390	2.007	6	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	112.1620	0.000	1	112.1620	0.000	1	111.8390	2.007	6	111.8390	2.007	6	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	112.1835	0.661	2	112.1835	0.437	2	111.8390	2.007	6	111.8390	2.007	6	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	110.4180	0.000	1	110.4180	0.000	1	111.8390	2.007	6	111.8390	2.007	6	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	113.9350	0.000	1	113.9350	0.000	1	111.8390	2.007	6	111.8390	2.007	6	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	110.3230	0.000	1	110.2980	0.001	2	110.2980	0.001	2	110.2980	0.001	2	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	110.2730	0.000	1	110.2980	0.001	2	110.2980	0.001	2	110.2980	0.001	2	112.3847	6.880	12	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:2:3:2:	3:4:3:	4:2:1:	C[6,6a]-3:O[6]-2:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6]2)(O[6]C[6,6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]O[6]2)(O[6]C[6,6])(O){3|C<3>,3|C<4>}	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:2:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|H<1>,5|C<3>}	112.5920	1.135	3	112.4200	0.977	4	112.4200	0.977	4	112.4200	0.977	4	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:2:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|H<1>,5|C<3>}	111.9040	0.000	1	112.4200	0.977	4	112.4200	0.977	4	112.4200	0.977	4	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:2:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:2:2:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2{1|H<1>,2|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O){1|H<1>,2|C<4>,4|C<3>}	114.5970	0.000	2	114.5970	0.000	2	114.5970	0.000	2	114.5970	0.000	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	112.4782	1.511	6	112.4782	2.282	6	112.4782	2.282	6	112.4782	2.282	6	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:2:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	108.3260	0.000	1	108.3260	0.000	1	107.5472	0.494	6	107.5472	0.494	6	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:2:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	107.2933	0.580	3	107.3914	0.436	5	107.5472	0.494	6	107.5472	0.494	6	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:2:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	107.5385	0.999	2	107.3914	0.436	5	107.5472	0.494	6	107.5472	0.494	6	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	108.9200	0.000	1	108.9200	0.000	1	108.9200	0.000	1	108.9200	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	113.1600	0.078	2	113.1600	0.006	2	114.5517	5.813	3	114.5517	5.813	3	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	117.3350	0.000	1	117.3350	0.000	1	114.5517	5.813	3	114.5517	5.813	3	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	116.2220	0.000	1	115.9600	0.137	2	115.5362	0.324	4	113.1023	14.442	6	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	115.6980	0.000	1	115.9600	0.137	2	115.5362	0.324	4	113.1023	14.442	6	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O){1|H<1>,4|C<3>}	115.3540	0.000	1	115.1125	0.117	2	115.5362	0.324	4	113.1023	14.442	6	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O){1|H<1>,4|C<3>}	114.8710	0.000	1	115.1125	0.117	2	115.5362	0.324	4	113.1023	14.442	6	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:N[6]-2:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2N[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2N[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	108.2345	0.391	2	108.2345	0.153	2	108.2345	0.153	2	113.1023	14.442	6	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:4:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[3,6]-4:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[3,6]C[3,6]O[3]H)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[3,6]C[3,6]O[3]H)(O){1|H<1>,4|C<3>}	113.3270	0.296	2	113.3270	0.087	2	113.3270	0.087	2	113.8160	0.761	3	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:4:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	114.7940	0.000	1	114.7940	0.000	1	114.7940	0.000	1	113.8160	0.761	3	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]2N[5a,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6](C[6,6]C[6,6a]2N[5a,6])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.4946	1.409	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:N[5a,6]-3:C[6]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[5a,6]C[6]2)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2{1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[5a,6]C[6]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	107.5238	1.369	4	107.5238	1.873	4	107.5238	1.873	4	107.4946	1.409	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:2:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6]-4:C[5a,6a]-3:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a])	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a]){10|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6]){10|C<3>,2|H<1>}	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	106.7420	0.000	1	106.7420	0.000	1	106.7420	0.000	1	107.0510	0.191	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:N[5,6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]C[6a])(N[5,6]C[5,6]C[5])(O){3|C<4>,3|H<1>,5|C<3>}	107.3600	0.000	1	107.3600	0.000	1	107.3600	0.000	1	107.0510	0.191	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:4:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|H<1>,3|C<3>}	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6a]2C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	C[6](C[6,6]C[6,6a]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,5|C<3>}	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	105.5905	32.377	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:P[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]P[6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]P[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	101.5670	0.000	1	101.5670	0.000	1	101.5670	0.000	1	105.5905	32.377	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:P[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,6|C<4>}	117.2260	0.000	1	117.2260	0.000	1	117.2260	0.000	1	117.2260	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:2:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.4817	1.212	3	114.4817	1.470	3	114.4817	1.470	3	113.8104	1.608	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	113.0410	0.000	1	113.0410	0.000	1	112.8035	0.113	2	113.8104	1.608	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H){1|H<1>,2|C<4>,4|C<3>}	112.5660	0.000	1	112.5660	0.000	1	112.8035	0.113	2	113.8104	1.608	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:S-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	105.8580	0.000	1	105.8580	0.000	1	105.8580	0.000	1	105.8580	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	116.7900	60.500	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	116.7900	60.500	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:2:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,4|C<3>}	110.5710	0.412	2	110.5710	0.169	2	110.5710	0.169	2	110.5710	0.169	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	111.7695	0.107	2	111.7695	0.011	2	111.7695	0.011	2	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	110.9860	1.274	2	110.9860	1.624	2	110.9860	1.624	2	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	106.8042	1.583	4	107.0397	2.705	6	109.3158	8.307	11	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	109.1450	0.000	1	107.0397	2.705	6	109.3158	8.307	11	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	105.8760	0.000	1	107.0397	2.705	6	109.3158	8.307	11	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.5400	0.187	2	111.5400	0.035	2	109.3158	8.307	11	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.8020	0.000	1	112.8020	0.000	1	109.3158	8.307	11	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.1770	0.093	2	112.1770	0.009	2	109.3158	8.307	11	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:Br-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br){1|C<4>,3|C<3>,3|H<1>}	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	111.0070	0.000	1	111.0070	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	114.2810	0.000	1	114.2810	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	110.0090	0.000	1	110.0090	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	113.0870	0.000	1	113.0870	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	111.8820	0.000	1	111.8820	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	116.4000	0.000	1	116.4000	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	111.1750	0.000	1	111.1750	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	112.7780	0.000	1	113.8844	3.717	5	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	114.1320	3.134	2	113.8844	3.717	5	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	114.1900	1.874	2	113.8844	3.717	5	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	115.3850	0.000	1	115.1777	0.389	3	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	115.0740	0.844	2	115.1777	0.389	3	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	111.0110	0.000	1	111.0110	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	115.4270	0.000	1	115.4270	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.3270	0.000	1	112.3270	0.000	1	113.4201	4.212	18	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H){4|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){2|C<4>,2|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>}	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	111.8457	8.145	35	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,3|H<1>,4|C<3>}	109.4068	0.608	4	109.4068	0.369	4	109.4068	0.369	4	109.4068	0.369	4	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Ir)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Ir){1|C<4>,2|H<1>,4|C<3>}	110.9400	0.000	1	110.9400	0.000	1	110.7800	1.029	3	111.1998	0.866	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Pd)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Pd){1|C<4>,2|H<1>,4|C<3>}	109.6950	0.000	1	109.6950	0.000	1	110.7800	1.029	3	111.1998	0.866	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NPdO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NPdO){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	111.7050	0.000	1	111.7050	0.000	1	110.7800	1.029	3	111.1998	0.866	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	111.1998	0.866	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:N-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC){2|H<1>,4|C<3>}	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	111.1998	0.866	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	111.4364	5.365	7	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:S-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	111.4683	1.536	3	111.1355	2.016	4	111.1355	2.016	4	111.4364	5.365	7	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:S-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	110.1370	0.000	1	111.1355	2.016	4	111.1355	2.016	4	111.4364	5.365	7	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:Si-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(SiC3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(SiC3){1|C<4>,3|C<3>,3|H<1>}	113.8890	0.218	2	113.8890	0.047	2	113.8890	0.047	2	111.4364	5.365	7	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:1:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:2:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.1220	0.110	4	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:2:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,2|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.6910	0.000	1	111.1513	0.160	3	111.1513	0.160	3	111.1220	0.110	4	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:2:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.3815	0.046	2	111.1513	0.160	3	111.1513	0.160	3	111.1220	0.110	4	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:2:	4:3:3:	4:3:2:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:2:	4:3:3:	4:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6])	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6]){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>,3|C<4>,4|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[5,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.4360	3.599	2	110.4360	12.954	2	110.4360	12.954	2	110.5856	3.990	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2{2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.5850	0.000	1	110.5850	0.000	1	111.2640	0.922	2	110.5856	3.990	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2{2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.9430	0.000	1	111.9430	0.000	1	111.2640	0.922	2	110.5856	3.990	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:Cl-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl){2|C<3>,3|C<4>,4|H<1>}	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	110.5856	3.990	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.8660	0.160	2	105.8660	0.026	2	106.6773	1.988	3	106.6773	1.988	3	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.3000	0.000	1	108.3000	0.000	1	106.6773	1.988	3	106.6773	1.988	3	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:4:	3:4:3:	4:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	111.7920	0.000	1	111.7920	0.000	1	110.9685	1.356	2	110.9685	1.356	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:4:	3:4:3:	4:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O){1|H<1>,1|N<3>,4|C<3>}	110.1450	0.000	1	110.1450	0.000	1	110.9685	1.356	2	110.9685	1.356	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	102.0585	0.306	2	102.0585	0.094	2	102.9727	2.554	3	106.6684	27.110	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	104.8010	0.000	1	104.8010	0.000	1	102.9727	2.554	3	106.6684	27.110	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.5440	0.000	1	111.5440	0.000	1	112.2120	0.892	2	106.6684	27.110	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	112.8800	0.000	1	112.8800	0.000	1	112.2120	0.892	2	106.6684	27.110	5	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:4:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O){1|O<1>,4|C<3>,4|H<1>}	110.2140	0.332	2	110.2140	0.110	2	110.2140	0.110	2	110.2140	0.110	2	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.5690	0.000	1	113.5690	0.000	1	110.7385	3.807	4	110.7385	3.807	4	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H)	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Br<1>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H){1|N<3>,5|C<3>}	109.3120	0.000	1	109.3120	0.000	1	110.7385	3.807	4	110.7385	3.807	4	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H)	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H){1|N<3>,5|C<3>}	110.0365	0.623	2	110.0365	0.388	2	110.7385	3.807	4	110.7385	3.807	4	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH){1|H<1>,2|C<3>,3|C<4>}	109.4331	0.742	8	109.4331	0.551	8	109.4331	0.551	8	109.4331	0.551	8	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	4:3:3:1:	4:3:3:	4:4:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(O)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	4:3:3:2:	4:3:3:	4:3:1:	C[3x6]-4:C[6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[3x6]O)(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[3x6]O)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	110.9935	10.062	146	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[3x6]	4:3:3:1:	4:3:3:	4:4:3:	C[4x6]-4:C[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[4x6]H)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6]C[3x6]C[4x6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	115.9130	1.540	2	115.9130	2.372	2	115.9130	2.372	2	115.9130	2.372	2	115.9130	2.372	2	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:3:2:2:	4:3:3:	3:4:3:	C[6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){5|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	113.8090	0.581	2	113.8090	0.338	2	113.8090	0.338	2	113.8090	0.338	2	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:3:2:4:	4:3:3:	4:2:3:	C[6,6]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-2:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C)	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:3:3:2:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	C[6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH){6|C<3>}	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:3:4:4:	4:3:3:	4:4:1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<5>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<4>,4|C<3>,8|H<1>}	110.6123	1.086	4	110.7614	0.406	16	110.7614	0.406	16	110.7614	0.406	16	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:3:4:4:	4:3:3:	4:4:1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<6>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<4>,4|C<3>,8|H<1>}	110.2780	0.288	2	110.7614	0.406	16	110.7614	0.406	16	110.7614	0.406	16	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:3:4:4:	4:3:3:	4:4:1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Cu<5>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<4>,4|C<3>,8|H<1>}	110.8197	0.216	4	110.7614	0.406	16	110.7614	0.406	16	110.7614	0.406	16	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:3:4:4:	4:3:3:	4:4:1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Zn<5>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<4>,4|C<3>,8|H<1>}	111.4785	0.374	2	110.7614	0.406	16	110.7614	0.406	16	110.7614	0.406	16	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:3:4:4:	4:3:3:	4:4:1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>,6|H<1>}	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<3>,4|C<3>,8|H<1>}	110.7353	0.440	4	110.7614	0.406	16	110.7614	0.406	16	110.7614	0.406	16	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:4:3:2:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H){1|C<4>,2|H<1>,7|C<3>}	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:4:3:3:	4:3:3:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a])	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	3:4:4:3:	4:3:3:	4:4:2:	C[6,6]-3:C[6]-4:C[6]-4:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:N[6]-2:	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a])	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a]){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	4:3:3:3:	4:3:3:	4:4:3:	B[6,6,6a]-4:C[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C-3:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2{2|N<3>,4|H<1>,9|C<3>}	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH){2|N<3>,9|C<3>}	109.1830	0.540	4	109.1830	0.291	4	109.1830	0.291	4	109.1830	0.291	4	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6,6]	4:3:3:4:	4:3:3:	4:4:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:P[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6,6]C[3x6]C[6,6]P[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	115.0330	0.000	1	115.0330	0.000	1	115.0330	0.000	1	115.0330	0.000	1	110.9574	2.300	29	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:3:3:2:	4:3:2:	4:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|Se<2>,1|N<2>,6|C<3>}	105.2600	0.000	1	105.2600	0.000	1	105.2600	0.000	1	105.2600	0.000	1	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:3:3:3:	4:3:2:	4:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,5|C<3>}	105.9800	0.000	1	105.9800	0.000	1	105.9800	0.000	1	105.9800	0.000	1	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	111.3005	1.974	2	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[5,6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6a](C[6,6]C[6,6a]N[6,6]C[6])(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]N[6,6]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6]C[6,6a]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]C[6a])(N[5,6]C[5,6]C[5])(O){3|C<4>,3|H<1>,5|C<3>}	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	111.3005	1.974	2	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6,6a]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6]C[6,6,6a]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6]){10|C<3>,2|H<1>}	106.5970	0.000	1	106.5970	0.000	1	106.5970	0.000	1	106.8415	0.120	2	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[6]-3:C[6a]-3:N[6,6]-3:N[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H)	C[6a](C[6,6]N[6,6]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H){2|C<4>,4|C<3>,8|H<1>}	C[6a](C[6,6]N[6,6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){3|C<4>,4|C<3>,5|H<1>}	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	106.8415	0.120	2	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	106.6660	0.000	1	106.6660	0.000	1	106.6660	0.000	1	106.6660	0.000	1	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:4:3:3:	4:3:2:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	108.8390	0.000	1	108.7030	0.037	2	108.7030	0.037	2	108.7030	0.037	2	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:4:3:3:	4:3:2:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	108.5670	0.000	1	108.7030	0.037	2	108.7030	0.037	2	108.7030	0.037	2	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	3:4:3:3:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	101.0040	0.000	1	101.0040	0.000	1	101.0040	0.000	1	101.0040	0.000	1	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	4:2:3:3:	4:3:3:	4:3:1:	C[6]-4:O[6,6]-2:C[6a]-3:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6,6]O[6,6]C[6]2)(C[6a]C[6a]H)2	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6]O[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6]C[6a]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	4:3:3:2:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	4:3:3:3:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	113.5229	0.361	9	113.5229	0.131	9	113.0652	1.142	11	112.9439	1.214	12	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	4:3:3:3:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2{4|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,6|C<3>}	111.0055	0.040	2	111.0055	0.002	2	113.0652	1.142	11	112.9439	1.214	12	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	4:3:3:3:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6a](C[6,6]C[6,6]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6a]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6,6]C[6,6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	111.6100	0.000	1	111.6100	0.000	1	111.6100	0.000	1	112.9439	1.214	12	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	4:3:4:3:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(O){2|C<4>,4|C<3>,4|H<1>}	110.3920	0.000	1	110.3920	0.000	1	110.5785	0.070	2	110.5785	0.070	2	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6]	4:3:4:3:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.7650	0.000	1	110.7650	0.000	1	110.5785	0.070	2	110.5785	0.070	2	110.3967	11.370	26	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H){1|H<1>,1|O<2>,3|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O){1|S<4>,2|H<1>,5|C<3>}	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir)	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	114.1880	0.000	1	114.1880	0.000	1	114.1880	0.000	1	114.1880	0.000	1	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	125.9880	0.219	2	125.9880	0.048	2	125.9880	0.048	2	125.9880	0.048	2	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	110.7150	0.764	2	110.7150	0.583	2	110.7150	0.583	2	110.7150	0.583	2	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	110.5350	0.000	1	111.4580	0.785	3	111.4580	0.785	3	111.4580	0.785	3	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	111.5370	0.000	1	111.4580	0.785	3	111.4580	0.785	3	111.4580	0.785	3	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	112.3020	0.000	1	111.4580	0.785	3	111.4580	0.785	3	111.4580	0.785	3	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC){2|H<1>,7|C<3>}	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<1>,4|C<3>}	111.9775	0.698	2	111.9775	0.487	2	111.9775	0.487	2	111.9775	0.487	2	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	113.0880	0.000	1	113.0880	0.000	1	113.9013	12.579	3	113.9013	12.579	3	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|I<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	117.7840	0.000	1	117.7840	0.000	1	113.9013	12.579	3	113.9013	12.579	3	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	110.8320	0.000	1	110.8320	0.000	1	113.9013	12.579	3	113.9013	12.579	3	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	3:3:4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H){10|C<3>,1|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H){1|O<2>,3|H<1>,8|C<3>}	119.6835	0.428	2	119.6835	0.183	2	119.6835	0.183	2	119.6835	0.183	2	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H){1|C<2>,1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]){1|C<4>,3|O<2>,4|C<3>}	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	117.0480	0.000	1	117.0480	0.000	1	117.0480	0.000	1	117.0480	0.000	1	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:2:	3:3:4:	4:4:3:	C[6,6a]-3:C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:3:	3:4:2:	4:3:4:	C[6,6a]-3:C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a])	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:4:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	112.8960	0.000	1	112.4210	0.451	2	112.4210	0.451	2	112.4210	0.451	2	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:4:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	111.9460	0.000	1	112.4210	0.451	2	112.4210	0.451	2	112.4210	0.451	2	114.2193	21.848	23	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:2:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	114.2560	0.000	1	114.2560	0.000	1	114.2560	0.000	1	114.2560	0.000	1	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:2:1:	4:3:3:	3:4:4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:2:1:	4:3:3:	4:4:3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6]C[6]H){2|H<1>,9|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	114.4050	0.000	1	114.4050	0.000	1	114.4050	0.000	1	114.4050	0.000	1	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	111.7530	0.598	4	111.7340	0.424	6	111.6218	0.408	12	111.6676	0.696	14	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	111.6960	1.022	2	111.7340	0.424	6	111.6218	0.408	12	111.6676	0.696	14	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O){1|H<1>,6|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	111.5312	0.824	4	111.5312	0.679	4	111.6218	0.408	12	111.6676	0.696	14	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6]2H)(C[6a]O[6a]H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,2|O<2>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6]2H)(C[6a]O[6a]H){6|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	111.4665	0.419	2	111.4665	0.176	2	111.6218	0.408	12	111.6676	0.696	14	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,6|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	111.9425	2.094	2	111.9425	4.384	2	111.9425	4.384	2	111.6676	0.696	14	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:2:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	111.7438	1.485	4	111.1525	1.892	8	111.1525	1.892	8	111.1525	1.892	8	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:2:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	110.5613	1.129	4	111.1525	1.892	8	111.1525	1.892	8	111.1525	1.892	8	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,6|C<3>}	109.5120	0.000	2	109.5120	0.000	2	111.7004	5.625	9	111.6478	4.163	13	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	110.7780	0.628	3	110.9824	0.276	5	111.7004	5.625	9	111.6478	4.163	13	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	111.2890	0.000	2	110.9824	0.276	5	111.7004	5.625	9	111.6478	4.163	13	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	115.6840	0.000	2	115.6840	0.000	2	111.7004	5.625	9	111.6478	4.163	13	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	112.0980	0.000	1	112.0980	0.000	1	111.5295	1.625	4	111.6478	4.163	13	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,3|H<1>,6|C<3>}	110.0190	0.000	1	110.0190	0.000	1	111.5295	1.625	4	111.6478	4.163	13	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	111.0450	0.000	1	112.0005	1.826	2	111.5295	1.625	4	111.6478	4.163	13	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	112.9560	0.000	1	112.0005	1.826	2	111.5295	1.625	4	111.6478	4.163	13	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	113.2832	0.730	5	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:S[6]-4:	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO)	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO){1|C<2>,5|C<3>}	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	113.2832	0.730	5	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|F<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	113.7650	0.552	2	113.7650	0.304	2	113.7450	0.153	3	113.2832	0.730	5	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	113.7050	0.000	1	113.7050	0.000	1	113.7450	0.153	3	113.2832	0.730	5	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	112.4600	0.000	1	112.4600	0.000	1	112.3335	2.383	8	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	111.7080	0.000	1	112.2872	3.326	6	112.3335	2.383	8	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	113.0813	2.407	3	112.2872	3.326	6	112.3335	2.383	8	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	111.3855	1.090	2	112.2872	3.326	6	112.3335	2.383	8	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,1|S<4>,4|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	112.4850	0.000	1	112.4850	0.000	1	112.3335	2.383	8	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	111.0040	0.000	1	111.0040	0.000	1	112.0420	0.509	4	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	112.3880	0.212	3	112.3880	0.045	3	112.0420	0.509	4	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	110.8480	0.758	2	110.8480	0.575	2	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	109.5880	1.564	2	109.5880	2.446	2	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	110.4985	0.414	2	110.4985	0.171	2	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|Cl<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	111.4587	0.943	4	111.8892	0.752	10	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	112.1762	0.757	6	111.8892	0.752	10	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	112.6395	2.575	2	112.6395	6.628	2	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.5180	0.000	1	112.5180	0.000	1	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	110.4230	1.686	2	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	110.5265	2.668	2	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	111.0425	0.197	2	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	111.7895	1.018	2	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	112.7660	1.831	6	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	111.7060	0.245	2	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	111.7595	3.136	2	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	111.8540	1.700	2	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	111.8006	1.695	18	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	111.5753	0.916	17	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|H<1>,5|C<3>}	112.2990	0.000	1	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	112.6574	1.622	8	111.8367	2.253	64	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	111.7685	0.743	2	111.2117	1.294	25	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	110.9698	1.497	9	111.2117	1.294	25	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	111.2957	0.943	12	111.2117	1.294	25	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	111.2395	1.252	2	111.2117	1.294	25	111.6333	1.984	108	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	108.3450	1.901	2	108.3450	3.613	2	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	111.4220	0.000	1	111.4220	0.000	1	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	114.7880	0.000	1	114.7880	0.000	1	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	113.2227	2.019	3	112.7383	2.191	6	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	111.3200	0.000	1	112.7383	2.191	6	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	112.7210	0.301	2	112.7383	2.191	6	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	108.4300	0.000	1	110.1647	1.674	4	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	110.4935	0.798	2	110.1647	1.674	4	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	111.2420	0.000	1	110.1647	1.674	4	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	116.5330	0.000	1	116.5330	0.000	1	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	110.6480	0.000	1	111.2334	1.089	14	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	111.5920	0.000	1	111.2334	1.089	14	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	110.9240	0.873	4	111.2334	1.089	14	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|C<3>,5|H<1>}	109.6640	0.000	1	111.2334	1.089	14	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	111.8033	0.541	3	111.2334	1.089	14	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	111.6375	2.494	2	111.2334	1.089	14	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	111.4910	0.557	2	111.2334	1.089	14	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	108.7490	0.000	1	109.4425	0.962	2	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	110.1360	0.000	1	109.4425	0.962	2	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	111.6530	0.000	1	112.1164	0.718	16	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	112.4562	0.632	12	112.1164	0.718	16	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	110.6485	0.045	2	112.1164	0.718	16	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	111.4390	0.000	1	112.1164	0.718	16	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,5|C<3>}	111.9500	2.352	2	111.9500	5.531	2	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.9450	0.000	1	111.9450	0.000	1	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.2780	0.515	4	110.2780	0.265	4	111.5462	2.758	54	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	111.9670	0.000	1	111.9670	0.000	1	111.9670	0.000	1	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	111.4290	0.000	1	111.4290	0.000	1	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	112.3330	0.000	1	112.3330	0.000	1	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	111.3420	0.000	1	111.3420	0.000	1	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	110.4390	0.000	1	110.4390	0.000	1	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,6|C<3>}	109.8110	1.197	3	109.8110	1.432	3	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	111.3394	0.892	5	111.3394	0.796	5	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N){1|C<4>,4|C<3>,4|H<1>}	113.0050	0.000	1	113.0050	0.000	1	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	113.0855	0.053	2	112.4697	1.139	3	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	111.2380	0.000	1	112.4697	1.139	3	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C){1|B<4>,1|H<1>,4|C<3>}	109.0460	0.000	1	109.0460	0.000	1	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	110.1440	0.000	1	110.1440	0.000	1	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	110.1430	0.000	1	110.1430	0.000	1	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	110.8300	0.000	1	110.8300	0.000	1	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	112.3840	0.000	1	110.4563	2.678	7	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.7410	1.330	5	110.4563	2.678	7	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	112.1050	0.000	1	110.4563	2.678	7	110.9424	1.900	27	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	112.8020	0.000	1	112.8020	0.000	1	113.0960	0.173	2	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	113.3900	0.000	1	113.3900	0.000	1	113.0960	0.173	2	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	111.5817	2.199	206	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	112.3005	3.211	4	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH){1|C<2>,2|C<4>,4|C<3>}	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	112.3005	3.211	4	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|Ge<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,4|C<3>,4|H<1>}	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.3005	3.211	4	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	112.8790	0.000	1	112.8790	0.000	1	112.8790	0.000	1	112.3005	3.211	4	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	112.4225	9.396	2	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	114.5900	0.000	1	114.5900	0.000	1	114.5900	0.000	1	112.4225	9.396	2	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	3:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O)	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O){1|C<4>,6|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	110.4640	0.290	2	110.4640	0.084	2	110.4640	0.084	2	110.4640	0.084	2	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|F<1>,6|C<3>,7|H<1>}	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	110.2558	1.608	12	110.2558	2.585	12	110.2558	2.585	12	110.2558	2.585	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,5|C<3>,5|H<1>}	113.8450	0.000	1	113.8450	0.000	1	113.8450	0.000	1	113.8450	0.000	1	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	114.4260	0.000	1	114.4260	0.000	1	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	112.8595	0.719	2	112.8595	0.517	2	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	108.5960	0.000	1	108.5960	0.000	1	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	113.3010	0.000	1	113.4105	0.024	2	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	113.5200	0.000	1	113.4105	0.024	2	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	115.0170	0.000	1	115.0170	0.000	1	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	114.2105	0.279	2	114.2105	0.078	2	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	112.3790	0.000	1	112.3790	0.000	1	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.7230	0.000	1	112.7230	0.000	1	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	115.3330	0.437	2	114.5124	1.624	5	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	115.4810	0.000	1	114.5124	1.624	5	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	113.2075	0.784	2	114.5124	1.624	5	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	113.0730	0.000	1	113.0730	0.000	1	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	113.6537	1.919	3	113.6537	3.684	3	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	112.9450	0.000	1	112.9450	0.000	1	113.5068	2.554	21	113.5068	2.554	21	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	113.4160	0.000	1	113.4160	0.000	1	113.4160	0.000	1	113.4160	0.000	1	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:1:	4:3:3:	4:4:3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	112.9950	0.000	1	112.9950	0.000	1	112.9950	0.000	1	112.9950	0.000	1	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:3:4:2:	4:3:3:	4:3:4:	C[6,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	110.6755	0.011	2	110.6755	0.000	2	110.6755	0.000	2	110.6755	0.000	2	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>,4|H<1>}	113.7025	0.248	2	113.7025	0.062	2	113.7025	0.062	2	113.7025	0.062	2	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<3>,3|H<1>,6|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){1|O<2>,2|C<3>,5|C<4>,7|H<1>}	110.5990	0.000	1	111.8705	3.233	2	111.8705	3.233	2	111.8705	3.233	2	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|H<1>,5|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|C<3>,4|C<4>,7|H<1>}	113.1420	0.000	1	111.8705	3.233	2	111.8705	3.233	2	111.8705	3.233	2	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	113.0000	0.000	1	113.0000	0.000	1	114.4907	1.733	3	113.3525	2.394	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	114.9790	0.000	1	115.2360	0.132	2	114.4907	1.733	3	113.3525	2.394	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.4930	0.000	1	115.2360	0.132	2	114.4907	1.733	3	113.3525	2.394	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	112.5160	0.000	1	112.5160	0.000	1	112.9731	2.210	9	113.3525	2.394	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	114.2905	1.595	2	114.2905	2.543	2	112.9731	2.210	9	113.3525	2.394	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	113.5740	0.000	1	112.6102	2.134	6	112.9731	2.210	9	113.3525	2.394	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	114.7460	0.000	1	112.6102	2.134	6	112.9731	2.210	9	113.3525	2.394	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	112.4360	0.000	1	112.6102	2.134	6	112.9731	2.210	9	113.3525	2.394	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	111.6350	1.072	3	112.6102	2.134	6	112.9731	2.210	9	113.3525	2.394	12	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:4:	C[5,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	111.1312	0.349	5	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,5|H<1>}	111.4390	0.725	2	111.4390	0.526	2	111.2377	0.385	3	111.1312	0.349	5	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	110.8350	0.000	1	110.8350	0.000	1	111.2377	0.385	3	111.1312	0.349	5	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:4:	C[6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	111.1312	0.349	5	111.8030	2.663	317	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:2:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(COO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(COO){4|C<3>}	111.3230	0.799	2	111.3230	0.638	2	112.3940	3.760	3	112.3940	3.760	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:2:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|O<2>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH){4|C<3>}	114.5360	0.000	1	114.5360	0.000	1	112.3940	3.760	3	112.3940	3.760	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H){4|C<3>}	114.1530	0.000	1	114.1530	0.000	1	115.5875	4.116	2	114.3029	2.049	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H){4|C<3>}	117.0220	0.000	1	117.0220	0.000	1	115.5875	4.116	2	114.3029	2.049	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:1:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H){4|C<3>}	113.2650	0.000	1	113.7890	0.889	5	113.7890	0.889	5	114.3029	2.049	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:1:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H){4|C<3>}	115.4590	0.000	1	113.7890	0.889	5	113.7890	0.889	5	114.3029	2.049	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:1:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H){4|C<3>}	113.4070	0.165	3	113.7890	0.889	5	113.7890	0.889	5	114.3029	2.049	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:N[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO){4|C<3>}	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN){4|C<3>}	113.3710	3.987	2	113.3710	15.894	2	114.1144	2.358	11	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN){4|C<3>}	114.2900	0.000	1	114.2900	0.000	1	114.1144	2.358	11	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN){4|C<3>}	114.7960	0.000	1	114.7960	0.000	1	114.1144	2.358	11	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H){4|C<3>}	114.2043	1.002	7	114.2043	1.005	7	114.1144	2.358	11	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	113.2850	0.000	1	113.2850	0.000	1	113.2850	0.000	1	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO)	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO){4|C<3>}	114.4130	0.000	1	114.4130	0.000	1	113.9120	0.502	2	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O){4|C<3>}	113.4110	0.000	1	113.4110	0.000	1	113.9120	0.502	2	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	114.5140	0.501	2	114.5140	0.251	2	114.1015	0.409	4	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	114.0740	0.000	1	113.6890	0.296	2	114.1015	0.409	4	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	113.3040	0.000	1	113.6890	0.296	2	114.1015	0.409	4	113.9146	1.757	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3){4|C<3>}	114.7715	0.605	2	114.7715	0.366	2	113.9347	2.284	3	113.9347	2.284	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:3:4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH){4|C<3>}	112.2610	0.000	1	112.2610	0.000	1	113.9347	2.284	3	113.9347	2.284	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:1:	4:3:3:	4:4:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H){1|H<1>,2|C<3>,2|C<4>}	115.0820	0.000	1	115.0820	0.000	1	115.0820	0.000	1	115.0820	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:2:	4:3:3:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC){2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H){1|C<4>,3|C<3>}	113.1050	0.000	1	113.1050	0.000	1	111.6855	0.912	4	111.6855	0.912	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:2:	4:3:3:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H){4|C<3>}	111.1425	0.136	2	111.2123	0.024	3	111.6855	0.912	4	111.6855	0.912	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:2:	4:3:3:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H){4|C<3>}	111.3520	0.000	1	111.2123	0.024	3	111.6855	0.912	4	111.6855	0.912	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:2:	4:3:3:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(COO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(COO){4|C<3>}	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:2:	4:3:3:	4:3:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO){4|C<3>}	115.1935	1.064	2	115.1935	1.133	2	115.1675	0.385	4	115.1675	0.385	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:2:	4:3:3:	4:3:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO){4|C<3>}	115.1415	0.139	2	115.1415	0.019	2	115.1675	0.385	4	115.1675	0.385	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:4:	3:4:3:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H)	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O){4|C<3>}	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:4:	4:3:2:	3:4:1:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|N<2>,4|C<3>}	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:4:	4:3:3:	3:4:1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){6|C<3>}	114.3290	0.000	1	114.3290	0.000	1	114.3290	0.000	1	114.3290	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:2:3:4:	4:3:3:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H){1|C<4>,3|C<3>}	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	3:4:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	3:4:3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H){1|H<1>,5|C<3>}	113.6710	0.000	1	113.6710	0.000	1	113.6710	0.000	1	113.6710	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:2:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,3|C<3>}	112.3890	0.000	1	112.3890	0.000	1	112.3890	0.000	1	112.3890	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:2:2:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:O-2:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC){1|H<1>,4|C<3>}	111.5543	1.561	3	111.5543	2.436	3	111.5543	2.436	3	111.5543	2.436	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){4|C<3>}	112.3695	0.264	2	113.1203	1.726	3	113.2922	2.785	6	113.3670	2.360	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	114.6220	0.000	1	113.1203	1.726	3	113.2922	2.785	6	113.3670	2.360	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.4530	0.000	1	111.4530	0.000	1	113.2922	2.785	6	113.3670	2.360	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	115.9240	0.000	1	115.9240	0.000	1	113.2922	2.785	6	113.3670	2.360	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	113.0150	0.000	1	113.0150	0.000	1	113.2922	2.785	6	113.3670	2.360	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	113.3670	2.360	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:2:	C[6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]N[6,6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]N[6,6]){1|C<4>,2|H<1>,5|C<3>}	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	113.8673	2.570	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:2:	C[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5]-3:S[6]-2:	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6])	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	115.3790	0.000	1	115.3790	0.000	1	115.3790	0.000	1	113.8673	2.570	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:O-2:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH){1|H<1>,1|N<3>,3|C<3>}	114.0370	0.000	1	114.0370	0.000	1	114.0370	0.000	1	113.8673	2.570	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	115.3935	0.681	2	115.3935	0.464	2	115.3935	0.464	2	113.1446	3.212	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	112.3910	0.000	1	112.3910	0.000	1	112.3033	0.124	3	113.1446	3.212	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	112.6030	0.000	1	112.6030	0.000	1	112.3033	0.124	3	113.1446	3.212	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){3|C<3>}	111.9160	0.000	1	111.9160	0.000	1	112.3033	0.124	3	113.1446	3.212	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	111.3400	0.588	2	111.3400	0.346	2	111.3400	0.346	2	113.1446	3.212	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO){3|C<3>}	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	113.1446	3.212	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:4:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br){1|C<4>,2|C<3>,2|H<1>}	113.9030	0.000	1	113.9030	0.000	1	114.4017	1.513	4	114.4017	1.513	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:4:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	115.1200	1.543	2	115.1200	2.381	2	114.4017	1.513	4	114.4017	1.513	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:1:	4:3:3:	4:4:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|C<3>,2|H<1>}	113.4640	0.000	1	113.4640	0.000	1	114.4017	1.513	4	114.4017	1.513	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:2:	4:3:3:	3:4:1:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O){1|C<4>,1|H<1>,4|C<3>}	112.7480	0.000	2	112.7480	0.000	2	112.7480	0.000	2	112.7480	0.000	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:2:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	110.2550	0.750	4	110.2550	0.562	4	110.2550	0.562	4	110.2550	0.562	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[5a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[5a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[5a]C[6a]O[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){4|H<1>,6|C<3>}	C[6a](C[6]C[5a]C[6]O[6])(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6a]O[6])(C[6]C[6,6a]H)(H){1|S<2>,5|C<3>}	110.5670	1.225	2	110.5670	1.500	2	110.5670	1.500	2	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:Br-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br){6|C<3>}	112.2085	0.214	2	112.2085	0.046	2	111.2777	1.482	4	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:Br-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br){6|C<3>}	110.3470	0.967	2	110.3470	0.936	2	111.2777	1.482	4	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6]H)(H){1|C<4>,5|C<3>}	112.2505	1.826	2	112.2505	3.336	2	111.0914	3.499	56	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	113.6470	1.063	2	113.6470	1.131	2	111.0914	3.499	56	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H){6|C<3>}	110.8752	2.204	6	110.8752	4.859	6	111.0914	3.499	56	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	108.4800	0.820	2	111.0380	3.475	40	111.0914	3.499	56	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	110.4345	2.579	2	111.0380	3.475	40	111.0914	3.499	56	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	111.2137	1.799	36	111.0380	3.475	40	111.0914	3.499	56	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H){6|C<3>}	110.8595	1.532	4	110.4247	1.867	6	111.0914	3.499	56	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H){6|C<3>}	109.5550	0.170	2	110.4247	1.867	6	111.0914	3.499	56	111.0865	3.263	62	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH){6|C<3>}	111.7965	0.808	2	111.7965	0.653	2	111.7965	0.653	2	111.7965	0.653	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:4:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	111.7570	0.068	2	111.7570	0.005	2	111.9177	0.080	3	112.4648	1.250	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:4:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O){1|C<4>,5|C<3>}	112.2390	0.000	1	112.2390	0.000	1	111.9177	0.080	3	112.4648	1.250	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:4:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:S[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3)	C[6a](C[6]C[6]S[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3){2|H<1>,5|C<3>}	C[6a](C[6]C[6]S[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6a]S[6]C)(C[6]C[6a]C[6])(H){1|H<1>,5|C<3>}	114.1060	0.000	1	114.1060	0.000	1	114.1060	0.000	1	112.4648	1.250	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:2:4:	4:3:3:	4:3:2:	C[6]-3:C[6a]-3:N[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]N[6]){3|H<1>,5|C<3>}	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.5430	0.000	1	111.5430	0.000	1	111.2532	3.867	5	110.3616	4.230	10	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,6|C<3>}	114.1240	0.000	1	114.1240	0.000	1	111.2532	3.867	5	110.3616	4.230	10	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	109.6570	0.000	1	109.6570	0.000	1	111.2532	3.867	5	110.3616	4.230	10	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,6|C<3>}	109.1730	0.000	1	109.1730	0.000	1	111.2532	3.867	5	110.3616	4.230	10	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	111.7690	0.000	1	111.7690	0.000	1	111.2532	3.867	5	110.3616	4.230	10	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	110.3616	4.230	10	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	110.5390	1.519	3	110.5390	2.308	3	110.0847	2.364	4	110.3616	4.230	10	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	108.7220	0.000	1	108.7220	0.000	1	110.0847	2.364	4	110.3616	4.230	10	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-2:	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	115.0070	0.000	1	115.0070	0.000	1	115.0070	0.000	1	115.0070	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	112.1910	0.120	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-3:	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO){2|C<4>,4|C<3>}	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	112.1910	0.120	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3){1|H<1>,1|S<4>,5|C<3>}	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-2:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H){4|C<3>}	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:2:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO){1|H<1>,4|C<3>}	112.4260	0.000	1	112.4260	0.000	1	112.4260	0.000	1	112.4260	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H){1|C<4>,1|S<4>,3|C<3>}	108.0960	0.000	1	108.0960	0.000	1	110.0880	1.881	6	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	110.9680	0.000	1	110.9680	0.000	1	110.0880	1.881	6	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	108.9190	0.000	1	108.9190	0.000	1	110.0880	1.881	6	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){1|O<1>,2|C<4>,3|C<3>}	110.1390	0.000	1	110.1390	0.000	1	110.0880	1.881	6	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Re<6>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	111.8380	0.000	1	111.8380	0.000	1	110.0880	1.881	6	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|S<4>,4|C<3>}	110.5680	0.000	1	110.5680	0.000	1	110.0880	1.881	6	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){4|C<3>}	107.3050	0.000	1	107.3050	0.000	1	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	111.9200	0.000	2	111.9200	0.000	2	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	109.5050	0.000	1	109.5050	0.000	1	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	112.7460	0.000	1	110.1883	4.973	3	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	108.9095	0.364	2	110.1883	4.973	3	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	110.8240	0.761	2	110.8240	0.579	2	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){6|C<3>}	108.8815	1.245	2	108.8815	1.551	2	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	109.2250	0.000	1	111.4470	1.553	6	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|S<4>,3|C<3>}	111.9005	0.398	2	111.4470	1.553	6	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	110.9030	0.000	1	111.4470	1.553	6	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|O<1>,4|C<3>}	112.3765	0.486	2	111.4470	1.553	6	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,3|C<3>}	112.4320	0.000	1	112.4320	0.000	1	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.8050	0.000	1	104.8050	0.000	1	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|N<2>,4|C<3>}	113.1550	0.000	1	113.1550	0.000	1	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	109.4123	1.063	4	109.4123	1.130	4	110.3062	4.201	24	110.2626	3.664	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN){1|C<4>,2|H<1>,3|C<3>}	110.6120	0.000	1	110.6120	0.000	1	111.0918	1.003	5	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	112.7130	0.000	1	112.7130	0.000	1	111.0918	1.003	5	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC){6|C<3>}	111.0570	0.051	2	111.0570	0.003	2	111.0918	1.003	5	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN){4|C<3>}	110.0200	0.000	1	110.0200	0.000	1	111.0918	1.003	5	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	111.5422	0.849	6	111.5422	0.721	6	111.5422	0.721	6	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	111.0660	1.834	3	111.0660	3.362	3	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){2|H<1>,5|C<3>}	112.4590	0.000	2	112.4590	0.000	2	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	113.4680	0.000	1	113.4680	0.000	1	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|N<3>,5|C<3>}	110.3520	0.000	1	111.2299	0.968	7	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|N<3>,5|C<3>}	111.3762	0.991	6	111.2299	0.968	7	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	111.9730	0.000	1	111.9730	0.000	1	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	108.5070	0.000	1	108.5070	0.000	1	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|H<1>,3|C<3>}	112.8170	0.000	1	112.8170	0.000	1	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN){1|C<2>,1|H<1>,3|C<3>}	112.3490	0.000	1	112.3490	0.000	1	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H){1|H<1>,2|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	111.2070	0.522	2	111.2070	0.272	2	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	112.9720	0.031	2	112.9720	0.001	2	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	109.0450	0.000	1	111.7573	1.391	11	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	112.0285	0.804	10	111.7573	1.391	11	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){6|C<3>}	110.4420	0.000	1	110.4420	0.000	1	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	111.5390	0.000	1	111.8797	0.225	3	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	112.0500	0.526	2	111.8797	0.225	3	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN){1|C<2>,4|C<3>}	112.1395	1.689	2	112.1395	2.854	2	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	112.8940	0.000	1	112.4956	1.287	7	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	113.8850	0.007	2	112.4956	1.287	7	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){5|C<3>}	111.7013	0.627	4	112.4956	1.287	7	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	112.8205	0.035	2	111.6244	2.412	7	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	111.1460	1.618	5	111.6244	2.412	7	111.7832	1.591	52	111.7054	1.469	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6]C[6]H){2|H<1>,9|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	113.0720	0.000	1	113.0720	0.000	1	111.7033	0.713	7	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO){1|C<4>,4|C<3>}	110.5250	0.000	1	110.5250	0.000	1	111.7033	0.713	7	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO){1|H<1>,1|S<4>,3|C<3>}	111.1480	0.000	1	111.1480	0.000	1	111.7033	0.713	7	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO){1|C<4>,1|N<3>,3|C<3>}	112.2260	0.000	1	112.2260	0.000	1	111.7033	0.713	7	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,1|P<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	111.6507	0.462	3	111.6507	0.214	3	111.7033	0.713	7	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re)	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Re<6>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re){3|H<1>,5|C<3>}	111.3280	0.000	1	111.3280	0.000	1	111.3280	0.000	1	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C){1|C<2>,2|H<1>,5|C<3>}	112.0685	0.392	2	112.0685	0.154	2	111.6113	0.704	3	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,5|C<3>}	110.6970	0.000	1	110.6970	0.000	1	111.6113	0.704	3	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.7390	0.799	2	110.7390	0.638	2	111.0730	0.357	8	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	111.2010	0.000	1	111.2010	0.000	1	111.0730	0.357	8	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	111.1810	0.625	5	111.1810	0.391	5	111.0730	0.357	8	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|H<1>,3|C<3>}	114.8320	0.000	1	114.8320	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	112.7400	0.000	1	112.7400	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){2|H<1>,4|C<3>}	113.5570	2.991	2	113.5570	8.946	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN){2|C<4>,2|H<1>,3|C<3>}	114.2950	0.000	1	114.2950	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H){1|H<1>,1|O<1>,5|C<3>}	113.0270	0.345	2	113.0270	0.119	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	112.4465	0.152	2	112.4465	0.023	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	112.4640	0.000	1	112.4640	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){1|H<1>,4|C<3>}	111.7540	0.000	1	111.7540	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){1|H<1>,3|C<3>}	112.9190	0.000	1	112.9190	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.6090	1.293	2	110.6090	1.671	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.1195	0.022	2	110.1195	0.000	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	110.9280	0.000	1	110.9280	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	109.7835	0.366	2	109.7835	0.134	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.2618	0.864	18	110.3871	0.651	24	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.7630	0.479	6	110.3871	0.651	24	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	112.4000	0.000	1	112.4000	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	109.8799	1.236	36	109.8799	1.529	36	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	111.3350	0.689	2	111.3350	0.474	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	112.1862	0.510	6	112.1862	0.260	6	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	110.7090	0.081	2	110.7090	0.006	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS){1|C<2>,1|H<1>,5|C<3>}	115.2890	0.000	1	115.2890	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	111.4510	0.000	1	111.1793	0.079	3	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	111.0435	0.216	2	111.1793	0.079	3	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	111.1355	0.586	2	111.3882	1.284	6	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	111.5145	1.401	4	111.3882	1.284	6	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O){1|H<1>,4|C<3>}	111.0825	1.531	2	111.0825	2.344	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO){1|H<1>,4|C<3>}	110.7375	0.549	2	110.7375	0.302	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	113.1630	0.000	1	110.8569	1.719	77	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.7640	0.000	1	110.8569	1.719	77	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	110.0880	0.000	1	110.8569	1.719	77	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.8358	1.353	30	110.8569	1.719	77	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	111.5020	0.361	2	110.8569	1.719	77	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.9079	1.679	8	110.8569	1.719	77	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.7258	1.106	26	110.8569	1.719	77	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,4|C<3>}	111.9303	1.429	4	110.8569	1.719	77	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	109.7585	1.075	4	110.8569	1.719	77	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,4|C<3>}	111.0318	0.917	10	110.9792	0.706	12	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){5|C<3>}	110.7160	0.185	2	110.9792	0.706	12	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	110.8920	2.475	2	110.8920	6.125	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO){5|C<3>}	113.4470	0.000	1	113.4470	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO){5|C<3>}	113.1440	0.000	1	113.1440	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO){5|C<3>}	111.9425	1.107	2	111.9425	1.225	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO){1|H<1>,4|C<3>}	109.3350	0.000	1	109.3350	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	111.1790	0.000	1	112.8610	5.658	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	114.5430	0.000	1	112.8610	5.658	2	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O){1|C<2>,3|C<3>}	111.2440	0.000	1	111.2440	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){4|C<3>}	110.2750	0.000	1	110.2750	0.000	1	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	110.7300	0.000	1	112.0314	0.597	7	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	112.0907	0.583	3	112.0314	0.597	7	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	113.1190	0.000	1	112.0314	0.597	7	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	112.1300	0.000	1	112.0314	0.597	7	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){4|C<3>}	111.9690	0.000	1	112.0314	0.597	7	110.9250	2.027	211	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H){2|C<3>,3|C<2>,3|H<1>}	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO){1|C<2>,3|C<3>}	113.4000	0.000	1	113.6974	1.193	7	113.5374	2.576	13	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO){1|C<2>,3|C<3>}	113.7470	1.188	6	113.6974	1.193	7	113.5374	2.576	13	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	115.3580	0.000	1	115.3580	0.000	1	113.5374	2.576	13	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	112.8690	0.000	1	112.8690	0.000	1	113.5374	2.576	13	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	114.0500	0.000	1	113.5127	7.490	3	113.5374	2.576	13	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	113.2440	3.814	2	113.5127	7.490	3	113.5374	2.576	13	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	111.3390	0.000	1	111.3390	0.000	1	113.5374	2.576	13	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]N[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	111.1374	2.325	247	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[3]-4:	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H){4|H<1>,6|C<3>}	109.6960	0.000	1	109.6960	0.000	1	109.6960	0.000	1	113.2270	16.427	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH){1|H<1>,1|S<4>,3|C<3>}	110.7000	0.156	2	110.7000	0.024	2	113.6684	16.770	8	113.2270	16.427	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	120.0515	0.317	2	120.0515	0.101	2	113.6684	16.770	8	113.2270	16.427	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	112.6873	0.283	3	112.6873	0.080	3	113.6684	16.770	8	113.2270	16.427	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3){6|C<3>}	109.7820	0.000	1	109.7820	0.000	1	113.6684	16.770	8	113.2270	16.427	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:4:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[5]-4:C[6]-3:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H){3|C<4>,3|H<1>,4|C<3>}	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	111.1994	3.957	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:4:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN){1|N<3>,2|H<1>,3|C<3>}	112.3360	0.000	1	112.3360	0.000	1	113.0200	0.936	2	111.1994	3.957	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:4:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H){2|H<1>,4|C<3>}	113.7040	0.000	1	113.7040	0.000	1	113.0200	0.936	2	111.1994	3.957	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:4:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:P[6]-4:C[6]-3:	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,1|P<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C){1|H<1>,2|C<4>,4|C<3>}	110.8793	0.237	3	110.8793	0.056	3	110.8793	0.056	3	111.1994	3.957	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){3|C<3>,3|H<1>}	110.9740	0.000	1	110.9740	0.000	1	110.2622	5.794	5	111.1994	3.957	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH){1|H<1>,3|C<3>}	114.0360	0.000	1	114.0360	0.000	1	110.2622	5.794	5	111.1994	3.957	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|H<1>,3|C<3>}	108.7670	0.928	3	108.7670	0.861	3	110.2622	5.794	5	111.1994	3.957	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	112.4715	0.030	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	112.4715	0.030	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H){1|H<1>,5|C<3>}	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	111.7590	1.134	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H){5|C<3>}	112.5120	0.000	1	112.5120	0.000	1	112.5120	0.000	1	111.7590	1.134	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	111.8025	0.726	2	111.8025	0.527	2	111.8025	0.527	2	111.8025	0.527	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO){5|C<3>}	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	111.8923	1.966	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	112.6380	0.000	1	112.6380	0.000	1	112.6380	0.000	1	111.8923	1.966	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	111.8923	1.966	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	113.3190	0.000	1	113.3190	0.000	1	113.4864	0.250	10	113.4872	0.225	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	113.5475	0.281	2	113.6463	0.112	8	113.4864	0.250	10	113.4872	0.225	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	113.8020	0.000	1	113.6463	0.112	8	113.4864	0.250	10	113.4872	0.225	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	113.5007	0.274	3	113.6463	0.112	8	113.4864	0.250	10	113.4872	0.225	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	114.2950	0.000	1	113.6463	0.112	8	113.4864	0.250	10	113.4872	0.225	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	113.4760	0.000	1	113.6463	0.112	8	113.4864	0.250	10	113.4872	0.225	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	112.3750	0.000	1	112.3750	0.000	1	113.4864	0.250	10	113.4872	0.225	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|N<2>}	113.4950	0.000	1	113.4950	0.000	1	113.4950	0.000	1	113.4872	0.225	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){2|H<1>,4|C<4>,6|C<3>}	115.4140	0.000	1	115.4140	0.000	1	115.4140	0.000	1	115.4140	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(H){1|O<2>,1|S<4>,5|C<3>}	113.3230	0.000	1	113.3230	0.000	1	113.3230	0.000	1	113.3230	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:4:3:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,6]-3:C[6]-4:C[6a]-3:	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,6]C[4])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	113.5180	0.000	1	113.5180	0.000	1	113.5180	0.000	1	111.7798	1.435	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:4:3:	N[5,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I){1|H<1>,1|N<3>,5|C<3>}	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	111.7798	1.435	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH){1|H<1>,6|C<3>}	111.0030	0.069	2	111.0030	0.005	2	111.0030	0.005	2	111.7798	1.435	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H){2|C<4>,4|C<3>}	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	111.7798	1.435	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:2:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(O){3|C<3>,3|H<1>}	110.9190	0.607	2	110.9190	0.368	2	110.9190	0.368	2	110.0430	2.453	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:2:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	108.3120	0.000	1	109.4015	2.374	2	109.4015	2.374	2	110.0430	2.453	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:2:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	110.4910	0.000	1	109.4015	2.374	2	109.4015	2.374	2	110.0430	2.453	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:2:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(O){1|H<1>,4|C<3>}	111.6870	0.000	1	111.6870	0.000	1	109.8085	7.058	2	110.0430	2.453	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:2:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O)	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O){1|N<2>,4|C<3>}	107.9300	0.000	1	107.9300	0.000	1	109.8085	7.058	2	110.0430	2.453	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:2:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:C-3:	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]N[6])(COO){2|H<1>,3|C<3>}	111.1280	0.000	1	111.1280	0.000	1	111.1280	0.000	1	111.1887	0.842	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:2:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:C-3:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH){1|C<4>,4|C<3>}	111.2190	1.295	2	111.2190	1.678	2	111.2190	1.678	2	111.1887	0.842	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|C<4>,3|C<3>}	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	108.6650	0.000	1	108.6650	0.000	1	109.9813	3.203	3	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	112.0190	0.000	1	112.0190	0.000	1	109.9813	3.203	3	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	109.2600	0.000	1	109.2600	0.000	1	109.9813	3.203	3	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O){1|C<4>,6|C<3>}	105.3680	0.000	1	105.3680	0.000	1	105.3680	0.000	1	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	110.4510	0.062	2	110.4510	0.004	2	110.4510	0.004	2	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	109.6510	0.000	1	109.6510	0.000	1	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H){1|S<2>,5|C<3>}	111.8060	0.000	1	111.8060	0.000	1	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	109.9902	1.400	12	109.9902	1.960	12	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	110.2035	1.619	2	110.0883	0.891	4	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	110.0010	0.000	1	110.0883	0.891	4	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	109.9450	0.000	1	110.0883	0.891	4	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	108.6910	0.000	1	108.6910	0.000	1	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	109.9300	0.000	1	109.9300	0.000	1	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H){4|C<3>}	111.7220	0.000	1	111.7220	0.000	1	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	108.0560	0.000	1	109.1740	1.457	4	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	109.5467	1.163	3	109.1740	1.457	4	109.9492	1.640	25	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	115.1880	0.000	1	115.1880	0.000	1	113.4795	4.527	8	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	113.6740	0.000	1	113.6740	0.000	1	113.4795	4.527	8	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	116.7970	0.000	1	116.7970	0.000	1	113.4795	4.527	8	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	112.8597	2.325	3	112.8597	5.406	3	113.4795	4.527	8	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	112.0390	0.000	1	112.0390	0.000	1	113.4795	4.527	8	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H){1|S<4>,6|C<3>}	111.5590	0.000	1	111.5590	0.000	1	113.4795	4.527	8	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	110.3740	0.000	1	110.1370	0.112	2	110.1370	0.112	2	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	109.9000	0.000	1	110.1370	0.112	2	110.1370	0.112	2	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.7250	0.000	1	111.7250	0.000	1	111.5387	0.796	6	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O){1|C<4>,3|C<3>}	111.5203	1.145	4	111.5203	1.310	4	111.5387	0.796	6	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	111.4260	0.000	1	111.4260	0.000	1	111.5387	0.796	6	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[3,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[3,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[3,6]C[6a]H)(C[6]C[6]H)(H)	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]N[3,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[3,6]C[6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	112.5230	0.000	1	112.5230	0.000	1	111.3825	2.601	2	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	110.2420	0.000	1	110.2420	0.000	1	111.3825	2.601	2	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,5|C<3>}	115.1333	2.147	3	115.1333	4.611	3	114.6185	4.134	4	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	113.0740	0.000	1	113.0740	0.000	1	114.6185	4.134	4	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O){1|N<2>,2|C<4>,3|C<3>}	110.7910	0.000	1	110.7910	0.000	1	110.7910	0.000	1	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H){5|C<3>}	111.4720	0.000	1	111.4720	0.000	1	112.6317	5.826	7	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H){5|C<3>}	113.0610	0.000	1	112.6600	0.322	2	112.6317	5.826	7	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H){1|C<4>,4|C<3>}	112.2590	0.000	1	112.6600	0.322	2	112.6317	5.826	7	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H){5|C<3>}	114.9420	0.000	1	114.9420	0.000	1	112.6317	5.826	7	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H){1|S<4>,4|C<3>}	115.2090	0.000	1	115.2090	0.000	1	112.6317	5.826	7	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(H){5|C<3>}	108.0800	0.000	1	108.0800	0.000	1	112.6317	5.826	7	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){2|O<2>,4|C<3>}	113.3990	0.000	1	113.3990	0.000	1	112.6317	5.826	7	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O){1|H<1>,2|C<4>,5|C<3>}	111.7860	0.000	1	111.7860	0.000	1	111.7860	0.000	1	111.2901	5.271	64	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	111.1310	0.000	1	111.1310	0.000	1	111.2550	1.826	4	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	113.1120	0.000	1	113.1120	0.000	1	111.2550	1.826	4	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	110.8940	0.000	1	110.3885	0.511	2	111.2550	1.826	4	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	109.8830	0.000	1	110.3885	0.511	2	111.2550	1.826	4	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	107.2180	0.000	1	107.2180	0.000	1	111.7797	5.709	6	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.7740	0.000	1	112.7890	1.129	4	111.7797	5.709	6	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	111.5620	0.000	1	112.7890	1.129	4	111.7797	5.709	6	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.6650	0.000	1	112.7890	1.129	4	111.7797	5.709	6	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|O<2>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	114.1550	0.000	1	112.7890	1.129	4	111.7797	5.709	6	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){1|S<2>,3|C<3>}	112.3040	0.000	1	112.3040	0.000	1	111.7797	5.709	6	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	111.4750	0.000	2	111.4750	0.000	2	111.4750	0.000	2	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN){1|H<1>,6|C<3>}	111.7080	0.000	2	111.7080	0.000	2	111.7080	0.000	2	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	111.5020	0.000	1	111.5020	0.000	1	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.1503	0.964	3	112.4220	0.914	4	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	113.2370	0.000	1	112.4220	0.914	4	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	111.8310	0.000	1	111.8310	0.000	1	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	111.2975	1.578	2	111.7895	1.178	4	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	112.2815	0.279	2	111.7895	1.178	4	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	111.8030	0.000	1	111.7210	1.314	17	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	110.6330	0.000	1	111.7210	1.314	17	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	111.8234	1.279	12	111.7210	1.314	17	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.6460	0.000	1	111.7210	1.314	17	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	111.4650	0.000	1	111.7210	1.314	17	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	110.8290	0.000	1	111.7210	1.314	17	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	112.9880	0.000	1	112.9880	0.000	1	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.6930	0.000	1	112.6930	0.000	1	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.7200	0.000	1	112.4735	0.122	2	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.2270	0.000	1	112.4735	0.122	2	111.9375	1.056	31	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	111.4220	0.000	1	111.4220	0.000	1	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	109.8070	0.000	1	109.8070	0.000	1	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	114.3210	0.000	1	114.3210	0.000	1	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.2330	0.000	1	112.0106	1.249	16	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.4600	0.000	1	112.0106	1.249	16	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.0485	0.711	2	112.0106	1.249	16	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	109.8290	0.000	1	112.0106	1.249	16	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	113.1030	0.000	1	112.0106	1.249	16	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.1434	1.089	8	112.0106	1.249	16	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	112.9390	0.000	1	112.0106	1.249	16	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	110.3610	0.000	1	112.0106	1.249	16	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	110.4623	0.477	7	110.4623	0.228	7	111.5752	1.700	26	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|S<4>,2|H<1>,6|C<3>}	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){1|O<2>,2|H<1>,6|C<3>}	111.5440	0.140	2	111.5440	0.020	2	115.1013	37.974	3	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	122.2160	0.000	1	122.2160	0.000	1	115.1013	37.974	3	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:N-2:	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a])	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a]){2|C<3>,2|C<4>,2|H<1>}	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|N<2>,5|C<3>}	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,7|C<3>}	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	111.8157	2.947	79	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.6640	0.000	1	111.6640	0.000	1	112.0257	3.093	3	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	110.4760	0.000	1	110.4760	0.000	1	112.0257	3.093	3	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO){5|C<3>}	113.9370	0.000	1	113.9370	0.000	1	112.0257	3.093	3	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,6|C<3>}	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	112.4280	0.000	1	112.4280	0.000	1	113.2464	1.945	8	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	112.3280	0.981	3	112.3280	0.963	3	113.2464	1.945	8	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	112.3970	0.000	1	114.1397	1.766	4	113.2464	1.945	8	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	114.7207	0.790	3	114.1397	1.766	4	113.2464	1.945	8	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	112.5490	0.000	2	112.5490	0.000	2	112.1046	0.454	5	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO){2|C<4>,4|C<3>}	112.4190	0.000	1	112.4190	0.000	1	112.1046	0.454	5	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O){2|C<4>,4|C<3>}	110.9560	0.000	1	110.9560	0.000	1	112.1046	0.454	5	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O){2|C<4>,4|C<3>}	112.0500	0.000	1	112.0500	0.000	1	112.1046	0.454	5	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N){1|C<4>,1|N<2>,4|C<3>}	112.1410	0.000	1	112.1410	0.000	1	112.1410	0.000	1	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	112.5585	0.204	2	112.5585	0.042	2	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O){4|C<3>}	113.3260	0.000	1	113.4223	0.007	3	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O){4|C<3>}	113.4705	0.018	2	113.4223	0.007	3	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.1440	0.000	1	110.9008	0.335	4	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.1955	0.479	2	110.9008	0.335	4	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.0680	0.000	1	110.9008	0.335	4	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.7430	0.000	1	111.5394	1.195	10	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.1460	0.000	1	111.5394	1.195	10	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.6720	1.365	5	111.5394	1.195	10	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.7150	0.757	3	111.5394	1.195	10	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	111.8575	0.298	2	112.1880	0.372	3	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	112.8490	0.000	1	112.1880	0.372	3	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	110.3080	0.000	1	110.3080	0.000	1	111.7936	1.282	23	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	113.8580	0.000	1	113.8580	0.000	1	112.1448	0.963	5	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	111.7165	0.247	4	111.7165	0.061	4	112.1448	0.963	5	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO){1|C<4>,1|H<1>,5|C<3>}	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	113.6970	0.000	1	113.6970	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	112.0030	0.000	1	112.0030	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	115.1750	0.000	1	115.1750	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC){5|C<3>}	111.7250	0.000	1	111.7250	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO){5|C<3>}	111.5140	0.000	1	111.5140	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO){1|S<4>,6|C<3>}	112.6950	0.000	1	112.6950	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS){6|C<3>}	112.7460	0.000	1	112.7460	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|C<4>,4|C<3>}	112.0890	0.000	1	111.7165	0.278	2	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.3440	0.000	1	111.7165	0.278	2	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O){5|C<3>}	112.2070	0.000	1	112.2070	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO){5|C<3>}	112.7750	0.000	1	112.7750	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O){4|C<3>}	108.8640	0.000	1	108.8640	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO){4|C<3>}	110.8580	0.000	1	110.8580	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	113.2627	0.666	6	113.2627	0.443	6	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O){4|C<3>}	111.8640	0.000	1	111.8640	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	112.7170	0.533	4	112.8755	0.560	12	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	113.0355	0.571	2	112.8755	0.560	12	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	112.6180	0.000	1	112.8755	0.560	12	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	112.9898	1.084	5	112.8755	0.560	12	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	113.6610	0.000	1	113.6610	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	111.3535	1.544	2	111.3535	2.383	2	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	111.8320	0.000	1	111.8320	0.000	1	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	110.4970	0.000	1	111.0055	0.493	4	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	111.1750	0.753	3	111.0055	0.493	4	112.3965	1.509	40	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	112.3263	0.327	3	112.3263	0.107	3	112.4923	1.186	6	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	114.5580	0.000	1	114.5580	0.000	1	112.4923	1.186	6	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	111.4470	0.000	1	111.7085	0.137	2	112.4923	1.186	6	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	111.9700	0.000	1	111.7085	0.137	2	112.4923	1.186	6	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|C<4>,3|H<1>,4|C<3>}	109.4220	0.148	2	109.4220	0.022	2	109.4220	0.022	2	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO){2|C<4>,3|C<3>}	112.1740	0.000	1	112.1740	0.000	1	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	111.7040	0.000	1	111.7040	0.000	1	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO){2|C<4>,3|C<3>}	110.8920	0.000	1	110.8920	0.000	1	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	115.0757	1.049	7	115.0757	1.101	7	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	113.3145	1.306	2	113.3145	1.706	2	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	112.7390	1.331	2	113.3663	2.066	3	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	114.6210	0.000	1	113.3663	2.066	3	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	114.4120	0.000	1	114.4120	0.000	1	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){1|H<1>,3|C<3>}	110.9220	0.000	1	110.1840	1.089	2	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	109.4460	0.000	1	110.1840	1.089	2	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	113.7190	0.000	1	113.4082	0.207	4	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.0540	0.341	2	113.4082	0.207	4	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	113.8060	0.000	1	113.4082	0.207	4	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	112.7007	0.701	3	112.7007	0.491	3	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	114.9890	0.000	1	114.9890	0.000	1	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	112.6040	0.000	1	113.3708	1.405	6	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.3660	0.629	2	113.3708	1.405	6	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	111.9640	0.000	1	113.3708	1.405	6	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	115.3780	0.000	1	113.3708	1.405	6	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	113.5470	0.000	1	113.3708	1.405	6	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS){1|O<2>,2|H<1>,4|C<3>}	112.4080	0.000	1	112.4080	0.000	1	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	114.2587	1.755	3	114.2587	3.080	3	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	111.7650	1.737	5	111.7650	3.017	5	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	115.1980	0.000	1	112.1793	3.085	7	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	112.0570	0.000	1	112.1793	3.085	7	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	111.6000	1.388	5	112.1793	3.085	7	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	110.9237	0.409	4	110.9237	0.167	4	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	114.3460	0.000	1	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	111.9780	0.000	1	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.5490	1.373	2	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	111.2560	0.000	1	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.0307	0.847	3	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.2640	1.035	21	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.1810	0.000	1	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	112.3630	0.000	1	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.9650	0.000	1	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	114.3993	0.329	3	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.1413	0.575	11	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	114.3420	0.925	3	113.3184	0.955	49	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	114.5720	0.000	1	114.5900	0.001	2	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	114.6080	0.000	1	114.5900	0.001	2	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	113.8180	0.000	1	113.8180	0.000	1	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	114.8750	0.000	1	114.6169	0.575	7	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	114.5738	0.821	6	114.6169	0.575	7	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O){1|C<4>,1|N<2>,2|C<3>}	110.2030	0.000	1	110.2030	0.000	1	113.2128	2.128	112	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC){2|C<3>,3|C<4>}	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	113.6770	0.000	1	113.6770	0.000	1	111.8327	2.311	7	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	113.5070	0.000	1	111.4677	2.552	4	111.8327	2.311	7	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	110.3750	0.000	1	111.4677	2.552	4	111.8327	2.311	7	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	110.0310	0.000	1	111.4677	2.552	4	111.8327	2.311	7	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.9580	0.000	1	111.4677	2.552	4	111.8327	2.311	7	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	112.6890	0.000	1	112.6890	0.000	1	111.8327	2.311	7	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.5920	0.000	1	110.5920	0.000	1	111.8327	2.311	7	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO){1|C<4>,4|C<3>}	115.9490	0.000	1	115.9490	0.000	1	115.9490	0.000	1	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO)	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,5|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO){1|N<2>,4|C<3>}	111.3740	0.000	1	111.3740	0.000	1	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	112.9990	0.000	1	112.9990	0.000	1	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO){4|C<3>}	112.5025	0.515	2	112.5025	0.266	2	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	112.9360	0.000	1	112.5901	0.895	19	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	112.2070	0.000	1	112.5901	0.895	19	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	112.5922	0.995	17	112.5901	0.895	19	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	112.9850	0.000	1	112.9850	0.000	1	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,5|C<3>}	113.0410	0.000	1	113.0410	0.000	1	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	112.6450	0.000	1	112.5383	0.013	3	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	112.4850	0.091	2	112.5383	0.013	3	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.4960	0.000	1	111.4960	0.000	1	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	112.0450	0.000	1	112.0450	0.000	1	112.5257	0.682	30	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	113.9290	1.055	2	113.9290	1.113	2	113.9290	1.113	2	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]N[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>}	112.5610	0.000	1	111.8779	1.912	11	112.0009	2.742	13	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	111.8096	1.438	10	111.8779	1.912	11	112.0009	2.742	13	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O){1|O<2>,2|H<1>,3|C<3>}	110.1570	0.000	1	110.1570	0.000	1	112.0009	2.742	13	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,4|C<3>}	115.1980	0.000	1	115.1980	0.000	1	112.0009	2.742	13	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO){1|S<4>,4|C<3>}	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	112.6847	2.104	265	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	112.3530	0.000	1	112.3530	0.000	1	112.6203	0.112	3	111.8856	0.568	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3){2|H<1>,3|C<3>}	112.5130	0.000	1	112.5130	0.000	1	112.6203	0.112	3	111.8856	0.568	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	112.9950	0.000	1	112.9950	0.000	1	112.6203	0.112	3	111.8856	0.568	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH){4|C<3>}	111.5182	0.615	6	111.5182	0.378	6	111.5182	0.378	6	111.8856	0.568	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	112.0860	0.000	1	112.0860	0.000	1	112.0867	0.391	3	112.0867	0.391	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|H<1>,1|O<1>,5|C<3>}	112.7120	0.000	1	112.0870	0.781	2	112.0867	0.391	3	112.0867	0.391	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	111.4620	0.000	1	112.0870	0.781	2	112.0867	0.391	3	112.0867	0.391	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	110.0880	0.000	1	110.0880	0.000	1	110.6757	0.845	3	110.1049	2.993	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	110.9695	1.083	2	110.9695	1.172	2	110.6757	0.845	3	110.1049	2.993	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|Se<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){7|C<3>}	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	110.1049	2.993	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	109.6620	0.846	2	110.0387	3.199	51	110.0761	3.015	55	110.1049	2.993	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	109.9824	1.866	45	110.0387	3.199	51	110.0761	3.015	55	110.1049	2.993	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	110.8605	0.989	4	110.0387	3.199	51	110.0761	3.015	55	110.1049	2.993	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.5532	0.797	4	110.5532	0.635	4	110.0761	3.015	55	110.1049	2.993	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|C<3>,1|C<4>,1|O<2>,2|N<3>,2|O<1>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	109.7657	2.451	4	109.7657	6.008	4	109.7657	6.008	4	110.1049	2.993	63	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|H<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,3|C<3>}	111.2075	1.456	2	111.2075	2.120	2	111.2075	2.120	2	111.2075	2.120	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|Se<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2{1|C<2>,3|H<1>,4|C<3>}	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){1|O<2>,5|C<3>}	111.2870	1.813	2	111.2870	3.287	2	111.3020	1.818	4	111.3020	1.818	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){1|O<2>,5|C<3>}	111.3170	1.472	2	111.3170	2.167	2	111.3020	1.818	4	111.3020	1.818	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	4:3:2:	4:3:3:	N[6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6]C[6a]N[6]O)(N[6]C[6,6a]Zn)(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC){1|Zn<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]O)(N[6]C[6,6a]Zn)(C[6]C[6]N[6]){1|H<1>,1|N<2>,6|C<3>}	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:4:1:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]O)(O){1|H<1>,1|O<2>,5|C<3>}	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6,6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC)	C[6a](C[6]C[5,6,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[5,6,6]C[6a]O)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[5,6,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]C[6a]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	109.7035	1.111	2	109.7035	1.234	2	109.7035	1.234	2	109.7035	1.234	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a]){6|C<3>}	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	110.1815	0.608	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	4:3:3:	4:3:2:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]O)(C[6a]C[6a]2)(N[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC){1|N<3>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]O)(C[6a]C[6a]2)(N[6]N[6]){4|H<1>,5|C<3>}	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	110.1815	0.608	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	113.5425	2.433	2	113.5425	5.920	2	113.5425	5.920	2	113.5425	5.920	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:2:	4:3:3:	4:4:1:	C[5a,6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6]HH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,4|C<3>}	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|H<1>,6|C<3>}	104.7197	0.425	6	104.7197	0.180	6	104.7197	0.180	6	104.4541	0.644	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	102.8610	0.000	1	102.8610	0.000	1	102.8610	0.000	1	104.4541	0.644	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO){1|O<1>,1|S<2>,5|C<3>}	113.1000	0.000	1	113.1000	0.000	1	113.0247	0.070	6	113.0247	0.070	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|O<1>,6|C<3>}	113.0096	0.292	5	113.0096	0.085	5	113.0247	0.070	6	113.0247	0.070	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:2:1:	C[6]-3:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O){1|O<1>,4|C<3>}	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2{1|Se<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){1|C<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){1|C<2>,1|H<1>,6|C<3>}	109.0575	3.065	2	109.0575	9.396	2	109.0575	9.396	2	109.0575	9.396	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6]-2:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2{1|Se<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){1|C<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6]){4|H<1>,5|C<3>}	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.9985	0.226	2	109.9985	0.051	2	109.9985	0.051	2	109.9985	0.051	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	113.8075	0.872	2	113.8075	0.760	2	113.8075	0.760	2	110.1968	8.209	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	108.3915	0.625	4	108.3915	0.391	4	108.3915	0.391	4	110.1968	8.209	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S){4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){1|H<1>,1|N<2>,1|S<2>,6|C<3>}	108.0430	6.986	2	108.0430	48.807	2	108.0430	48.807	2	108.3564	10.375	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:4:1:	C[6]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O){2|H<1>,5|C<3>}	105.9670	0.000	1	105.9670	0.000	1	105.9670	0.000	1	108.3564	10.375	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:4:1:	C[6]-3:C[6a]-3:N[6]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH)	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]N)(O){1|C<4>,1|H<1>,5|C<3>}	105.6760	1.448	2	105.6760	2.097	2	105.6760	2.097	2	108.3564	10.375	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:4:1:	N[6]-3:C[6]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH)	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6a]N[6]N)(H)	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6a]N[6]N)(H){1|N<3>,1|O<1>,5|C<3>}	104.0770	0.000	1	104.0770	0.000	1	104.0770	0.000	1	108.3564	10.375	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H){1|H<1>,8|C<3>}	110.1945	1.647	2	110.1945	2.712	2	109.9384	3.622	8	108.3564	10.375	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H)	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H){1|P<4>,8|C<3>}	109.0828	1.566	4	109.0828	2.451	4	109.9384	3.622	8	108.3564	10.375	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]2N[6])(H){1|S<4>,8|C<3>}	111.3935	2.828	2	111.3935	7.996	2	109.9384	3.622	8	108.3564	10.375	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O){1|C<4>,1|H<1>,6|C<3>}	107.9540	0.000	1	107.1230	6.314	4	107.1230	6.314	4	107.1230	6.314	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,3|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O){1|C<4>,1|H<1>,6|C<3>}	103.7550	0.000	1	107.1230	6.314	4	107.1230	6.314	4	107.1230	6.314	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O){1|H<1>,7|C<3>}	108.3915	1.921	2	107.1230	6.314	4	107.1230	6.314	4	107.1230	6.314	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:2:2:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:S-2:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]2C[6])(N[6]C[6,6a])(SC[6a])	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S){4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]2C[6])(N[6]C[6,6a])(SC[6a]){1|O<1>,6|C<3>}	109.9335	0.528	2	109.9335	0.279	2	109.9335	0.279	2	109.9335	0.279	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:I-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|Br<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I){1|N<3>,2|H<1>,5|C<3>}	109.3450	1.079	2	109.3450	1.164	2	109.4532	0.668	4	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:I-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]I)(I)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|I<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]I)(I){1|N<3>,2|H<1>,5|C<3>}	109.5615	0.890	2	109.5615	0.793	2	109.4532	0.668	4	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O)	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O)	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O){1|C<4>,6|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O){1|C<4>,1|N<3>,6|C<3>}	107.5725	0.923	2	107.5725	0.852	2	107.5725	0.852	2	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O){1|S<4>,5|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O){7|C<3>}	106.7825	3.429	2	106.7825	11.756	2	106.7825	11.756	2	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2{1|Se<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	109.0075	0.960	2	109.0075	0.921	2	108.1582	10.014	4	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2{1|Se<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H){1|H<1>,1|O<1>,5|C<3>}	107.3090	5.122	2	107.3090	26.238	2	108.1582	10.014	4	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H){1|C<2>,1|H<1>,7|C<3>}	110.9300	0.512	2	110.9300	0.262	2	110.9300	0.262	2	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2N[6])(C[6]N[5,6]Re)(H)	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H){1|Re<6>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[6]C[6a]2N[6])(C[6]N[5,6]Re)(H){1|H<1>,6|C<3>}	111.5025	1.486	2	111.5025	2.207	2	109.1590	7.217	6	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2N[6])(C[6]C[6,6]C)(H)	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]2N[6])(C[6]C[6,6]C)(H){1|O<1>,6|C<3>}	107.9873	2.408	4	107.9873	5.800	4	109.1590	7.217	6	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]H)(H){1|O<1>,6|C<3>}	110.1577	2.426	4	110.1577	5.884	4	108.9419	5.606	10	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]S)(H)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]2N[6])(C[6]C[6,6a]S)(H){1|S<4>,6|C<3>}	109.1715	2.676	2	109.1715	7.163	2	108.9419	5.606	10	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H){9|C<3>}	107.6112	2.045	4	107.6112	4.181	4	108.9419	5.606	10	108.8463	5.378	30	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N){1|C<4>,1|N<2>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a]){1|O<2>,7|C<3>}	107.3025	5.008	2	107.3025	25.084	2	107.3025	25.084	2	108.8380	10.063	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[5a,6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[5a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a]){1|O<1>,2|N<3>,6|C<3>}	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	108.8380	10.063	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,8|C<3>}	110.9230	0.742	2	110.9230	0.551	2	110.9230	0.551	2	108.8380	10.063	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C[3]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2{1|N<3>,2|C<4>,6|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2){1|H<1>,4|C<4>,6|C<3>}	108.5290	1.915	2	108.5290	3.667	2	108.5290	3.667	2	108.5290	3.667	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|N<2>,1|S<2>,3|C<3>}	106.9720	0.000	1	106.9720	0.000	1	107.7765	1.294	2	108.4200	1.889	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|O<2>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|S<1>,1|S<2>,3|C<3>}	108.5810	0.000	1	108.5810	0.000	1	107.7765	1.294	2	108.4200	1.889	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-2:S-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|O<2>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S){1|O<1>,1|O<2>,3|C<3>}	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	108.4200	1.889	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:2:2:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-2:N-2:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a]){1|O<1>,1|O<2>,3|C<3>}	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	106.0620	0.000	1	106.0620	0.000	1	108.1745	5.913	13	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	108.8160	6.066	2	108.8160	36.791	2	108.1745	5.913	13	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,5|C<3>}	108.8833	1.519	6	108.2574	3.201	10	108.1745	5.913	13	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,1|O<1>,5|C<3>}	107.3185	1.948	4	108.2574	3.201	10	108.1745	5.913	13	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3){2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,5|C<3>}	108.8440	0.000	1	108.8440	0.000	1	109.5570	1.017	2	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	110.2700	0.000	1	110.2700	0.000	1	109.5570	1.017	2	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|S<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	107.6010	0.000	1	106.5965	2.018	2	107.1187	1.674	26	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|S<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|S<1>}	105.5920	0.000	1	106.5965	2.018	2	107.1187	1.674	26	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	104.5550	0.000	1	106.7685	9.799	2	107.1187	1.674	26	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	108.9820	0.000	1	106.7685	9.799	2	107.1187	1.674	26	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	109.3540	0.000	1	107.1980	1.386	22	107.1187	1.674	26	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	105.4520	0.000	1	107.1980	1.386	22	107.1187	1.674	26	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	107.1774	1.061	20	107.1980	1.386	22	107.1187	1.674	26	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|S<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	107.6210	0.000	1	106.9220	0.977	2	107.4985	2.765	8	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|S<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|O<1>}	106.2230	0.000	1	106.9220	0.977	2	107.4985	2.765	8	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|S<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	104.3040	0.000	1	104.3040	0.000	1	107.4985	2.765	8	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|S<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|S<1>}	108.2870	0.000	1	108.2870	0.000	1	107.4985	2.765	8	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|S<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	108.3882	1.114	4	108.3882	1.241	4	107.4985	2.765	8	107.5603	3.149	49	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3){2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	110.6560	0.000	1	110.6560	0.000	1	110.2263	0.510	3	110.2263	0.510	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3){1|C<4>,5|C<3>}	110.0115	0.862	2	110.0115	0.743	2	110.2263	0.510	3	110.2263	0.510	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:4:2:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	108.8030	1.499	2	108.8030	2.247	2	108.8030	2.247	2	108.8030	2.247	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	3:4:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	110.5260	1.283	2	110.5260	1.645	2	110.5260	1.645	2	110.5260	1.645	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O){7|C<3>}	107.6050	0.000	1	107.6050	0.000	1	106.2420	3.716	2	108.4323	4.362	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O){1|H<1>,6|C<3>}	104.8790	0.000	1	104.8790	0.000	1	106.2420	3.716	2	108.4323	4.362	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){1|H<1>,6|C<3>}	109.5275	1.111	4	109.5275	1.234	4	109.5275	1.234	4	108.4323	4.362	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6,6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O){2|C<4>,3|H<1>,4|C<3>}	103.4720	0.000	1	103.4720	0.000	1	103.4720	0.000	1	106.6611	3.338	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	108.1970	0.000	1	108.1970	0.000	1	107.4700	1.147	3	106.6611	3.338	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	107.9730	0.000	1	107.9730	0.000	1	107.4700	1.147	3	106.6611	3.338	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	106.2400	0.000	1	106.2400	0.000	1	107.4700	1.147	3	106.6611	3.338	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O){1|N<2>,4|C<3>}	106.6420	0.000	1	106.6420	0.000	1	106.0335	0.741	2	106.6611	3.338	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O){1|O<1>,4|C<3>}	105.4250	0.000	1	105.4250	0.000	1	106.0335	0.741	2	106.6611	3.338	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	106.6611	3.338	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN){4|C<3>}	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	108.9257	10.025	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a]){1|O<1>,4|C<3>}	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	108.9257	10.025	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:2:	C[6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	108.9257	10.025	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:3:4:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	109.7985	3.518	2	109.7985	12.375	2	109.7985	12.375	2	109.7985	12.375	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:F-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(F)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(F){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O){1|C<4>,3|H<1>,4|C<3>}	111.0210	0.431	2	111.0210	0.186	2	111.0210	0.186	2	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	111.8120	0.000	1	111.8120	0.000	1	112.2485	4.003	8	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	112.4760	2.121	4	112.4760	4.499	4	112.2485	4.003	8	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,2|H<1>,5|C<3>}	111.8925	3.717	2	111.8925	13.818	2	112.2485	4.003	8	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	112.4870	0.000	1	112.4870	0.000	1	112.2485	4.003	8	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	114.4850	0.000	1	114.4850	0.000	1	114.4850	0.000	1	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.6880	0.000	1	111.6880	0.000	1	113.3442	2.371	5	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|O<2>,3|H<1>,4|C<3>}	114.1427	1.463	3	114.1427	2.140	3	113.3442	2.371	5	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|O<2>,3|H<1>,4|C<3>}	112.6050	0.000	1	112.6050	0.000	1	113.3442	2.371	5	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:C[6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	113.7555	0.682	2	113.7555	0.466	2	113.7555	0.466	2	112.7082	3.113	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-2:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,2|H<1>,3|C<2>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	116.1930	0.000	1	114.9263	1.336	3	114.9263	1.336	3	114.9263	1.336	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|H<1>,3|C<3>,3|C<4>}	114.2930	0.515	2	114.9263	1.336	3	114.9263	1.336	3	114.9263	1.336	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,3|C<2>,5|C<3>}	114.7070	0.000	1	114.7070	0.000	1	113.4818	1.278	5	113.4818	1.278	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	112.0900	0.000	1	112.0900	0.000	1	113.4818	1.278	5	113.4818	1.278	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	112.5070	0.000	1	112.5070	0.000	1	113.4818	1.278	5	113.4818	1.278	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]H){4|H<1>,5|C<3>}	113.8640	0.000	1	113.8640	0.000	1	113.4818	1.278	5	113.4818	1.278	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	114.2410	0.000	1	114.2410	0.000	1	113.4818	1.278	5	113.4818	1.278	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|H<1>,2|C<4>,5|C<3>}	109.0350	0.000	1	109.0350	0.000	1	110.5981	4.819	10	110.7830	4.713	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|C<4>,2|H<1>,5|C<3>}	109.6997	1.001	4	109.6997	1.002	4	110.5981	4.819	10	110.7830	4.713	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|N<3>,3|H<1>,4|C<3>}	110.5440	0.000	1	110.5440	0.000	1	110.5981	4.819	10	110.7830	4.713	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.4895	1.866	2	109.4895	3.482	2	110.5981	4.819	10	110.7830	4.713	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|O<2>,3|H<1>,4|C<3>}	113.5500	0.000	1	113.5500	0.000	1	110.5981	4.819	10	110.7830	4.713	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){2|H<1>,2|O<2>,4|C<3>}	115.0740	0.000	1	115.0740	0.000	1	110.5981	4.819	10	110.7830	4.713	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:S-2:	C[6a]-3:C[6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O)	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	110.7830	4.713	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CSiH)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CSiH){1|N<3>,3|H<1>,4|C<3>}	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	110.6810	0.000	1	110.6810	0.000	1	111.7820	2.424	2	111.8120	1.215	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,6|C<3>,6|H<1>}	112.8830	0.000	1	112.8830	0.000	1	111.7820	2.424	2	111.8120	1.215	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:2:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	111.8120	1.215	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-3:C[6]-4:C-3:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]C)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]C)(O){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	111.9350	0.000	1	111.9350	0.000	1	111.9350	0.000	1	111.9350	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	108.8080	1.509	2	108.8080	2.277	2	108.8080	2.277	2	108.8080	2.277	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:3:	4:3:3:	4:4:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(O){1|C<4>,4|C<3>,4|H<1>}	106.8870	0.000	1	109.2000	10.700	2	109.2000	10.700	2	109.2000	10.700	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:3:	4:3:3:	4:4:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(O){1|C<4>,4|C<3>,4|H<1>}	111.5130	0.000	1	109.2000	10.700	2	109.2000	10.700	2	109.2000	10.700	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:4:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	106.9000	0.000	1	106.9000	0.000	1	106.9000	0.000	1	109.5855	14.424	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:3:4:4:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|I<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	112.2710	0.000	1	112.2710	0.000	1	112.2710	0.000	1	109.5855	14.424	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	112.1070	0.000	1	110.7110	3.898	2	111.4740	3.695	3	111.4740	3.695	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	109.3150	0.000	1	110.7110	3.898	2	111.4740	3.695	3	111.4740	3.695	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	113.0000	0.000	1	113.0000	0.000	1	111.4740	3.695	3	111.4740	3.695	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|H<1>,5|C<3>}	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:2:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO){2|H<1>,4|C<3>}	110.4330	1.964	2	110.4330	3.859	2	110.4330	3.859	2	110.4330	3.859	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:2:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO){1|C<4>,2|C<3>,2|H<1>}	111.1475	0.473	2	111.1475	0.224	2	111.6730	0.940	3	111.6730	0.940	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:2:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CHHO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CHHO){1|C<4>,2|C<3>,2|H<1>}	112.7240	0.000	1	112.7240	0.000	1	111.6730	0.940	3	111.6730	0.940	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.8530	0.382	2	111.8530	0.146	2	111.8530	0.146	2	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	106.5320	0.000	1	106.5320	0.000	1	106.5320	0.000	1	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	117.2390	1.305	2	117.2390	1.704	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	111.1390	1.153	2	110.3070	2.741	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|H<1>,2|C<4>,6|C<3>}	108.6430	0.000	1	110.3070	2.741	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]S[6])(H){3|C<4>,4|C<3>}	109.3310	0.037	2	109.3310	0.001	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){2|C<4>,3|C<3>}	109.7280	0.000	1	109.7280	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	112.4620	0.000	1	112.1653	0.126	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	112.0170	0.346	2	112.1653	0.126	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	111.8260	0.000	1	111.8260	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<2>,2|H<1>,5|C<3>}	117.3370	0.000	1	117.3370	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	114.6010	0.886	3	114.6010	0.785	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	113.2260	0.000	1	113.2260	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	112.9760	0.000	1	112.9120	0.008	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	112.8480	0.000	1	112.9120	0.008	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	112.8520	0.000	1	112.3243	0.234	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	111.9010	0.000	1	112.3243	0.234	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	112.2200	0.000	1	112.3243	0.234	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	110.7565	0.793	2	110.7565	0.628	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	111.6530	0.000	1	111.6530	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|N<3>,5|C<3>}	114.1430	0.000	1	114.1430	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|S<2>,3|C<3>}	111.5550	0.395	2	111.5550	0.156	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	112.4270	0.000	1	112.4270	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	112.1150	0.000	1	112.1150	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){3|H<1>,5|C<3>}	113.2200	0.000	1	114.1370	1.682	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	115.0540	0.000	1	114.1370	1.682	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	112.8380	0.000	1	112.8380	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	113.5840	0.000	1	112.6913	2.978	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){2|H<1>,3|C<3>}	113.7880	0.000	1	112.6913	2.978	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	110.7020	0.000	1	112.6913	2.978	3	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.1170	0.000	1	106.1170	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.6040	0.000	1	113.6040	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.2520	0.000	1	110.9475	0.967	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	111.6430	0.000	1	110.9475	0.967	2	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|H<1>}	112.3920	0.000	1	112.3920	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	113.9100	0.000	1	113.9100	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.4920	0.000	1	113.4920	0.000	1	112.4379	5.024	43	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	111.0090	0.000	1	111.0090	0.000	1	111.1545	0.042	2	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	111.3000	0.000	1	111.3000	0.000	1	111.1545	0.042	2	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	112.2180	5.073	50	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|H<1>,2|C<4>,4|C<3>}	113.2290	0.000	1	113.2290	0.000	1	113.3551	2.100	16	113.3551	2.100	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){3|C<3>,3|H<1>}	112.7360	0.264	4	112.7360	0.070	4	113.3551	2.100	16	113.3551	2.100	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	111.4770	0.000	1	113.9233	5.251	3	113.3551	2.100	16	113.3551	2.100	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	115.1465	1.235	2	113.9233	5.251	3	113.3551	2.100	16	113.3551	2.100	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){3|C<3>,3|H<1>}	113.8375	0.432	2	113.8375	0.187	2	113.3551	2.100	16	113.3551	2.100	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]H)(CC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]H)(CC){2|H<1>,3|C<3>}	113.9600	0.000	1	113.9600	0.000	1	113.3551	2.100	16	113.3551	2.100	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){1|C<4>,2|C<3>,2|H<1>}	114.6420	0.665	3	114.6420	0.442	3	113.3551	2.100	16	113.3551	2.100	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	111.0890	1.063	2	111.0890	1.131	2	113.3551	2.100	16	113.3551	2.100	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH){1|C<4>,2|C<3>,4|H<1>}	113.3940	0.000	1	113.3940	0.000	1	113.3940	0.000	1	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	114.5455	0.228	2	114.5455	0.052	2	114.5037	0.031	3	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	114.4200	0.000	1	114.4200	0.000	1	114.5037	0.031	3	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|Cl<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH){1|C<2>,1|C<4>,4|C<3>}	111.5430	0.000	1	111.5430	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	113.6020	0.000	1	113.6020	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	111.3910	0.000	1	111.3910	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	113.6930	0.000	1	112.0017	2.535	3	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	111.1560	0.882	2	112.0017	2.535	3	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO){1|C<4>,3|C<3>,3|H<1>}	111.9210	0.000	1	111.9210	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	112.6340	0.000	1	112.6340	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO){1|C<4>,3|C<3>,3|H<1>}	112.4480	0.000	1	112.4480	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>,3|H<1>}	113.4230	0.000	1	113.4230	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,3|C<3>,3|H<1>}	109.4150	0.000	1	109.4150	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	109.1270	0.000	1	112.5545	23.496	2	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|H<1>,6|C<3>}	115.9820	0.000	1	112.5545	23.496	2	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	113.2720	0.000	1	112.7610	0.522	2	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,5|C<3>}	112.2500	0.000	1	112.7610	0.522	2	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	112.8240	0.000	1	112.8240	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O){1|H<1>,5|C<3>}	116.4830	0.000	1	116.4830	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){2|H<1>,5|C<3>}	111.8000	0.000	1	111.8000	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	112.8290	0.000	1	112.8290	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH){2|H<1>,3|C<3>}	113.2140	0.000	1	113.2140	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO){2|C<4>,2|H<1>,3|C<3>}	111.4990	0.000	2	111.4990	0.000	2	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.7810	0.000	1	114.7810	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	114.0790	0.000	1	113.2510	1.102	5	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,2|C<3>,4|H<1>}	114.0370	0.000	1	113.2510	1.102	5	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	113.3620	0.000	1	113.2510	1.102	5	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	112.3885	1.266	2	113.2510	1.102	5	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){3|C<3>,3|H<1>}	113.1620	0.000	1	113.1620	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	112.3180	0.000	1	112.3180	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN){3|C<3>,3|H<1>}	112.2140	0.000	1	112.2140	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(COO){2|H<1>,5|C<3>}	113.2940	0.000	1	113.2940	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	113.7530	0.000	1	113.7530	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	114.3370	0.000	1	114.3370	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.4810	0.000	1	113.4810	0.000	1	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.8582	1.625	5	112.8582	2.641	5	112.7762	2.329	40	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,2|H<1>,3|C<3>}	115.7340	0.000	1	115.7340	0.000	1	114.3500	3.831	2	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO){1|C<4>,2|C<3>,4|H<1>}	112.9660	0.000	1	112.9660	0.000	1	114.3500	3.831	2	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH){1|C<4>,2|C<3>,2|H<1>}	113.0280	0.000	2	113.0280	0.000	2	113.0280	0.000	2	112.9731	2.282	48	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	114.4660	0.000	1	114.4660	0.000	1	112.8924	3.845	8	112.3794	3.245	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	114.0350	0.000	1	114.0350	0.000	1	112.8924	3.845	8	112.3794	3.245	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	109.8200	0.000	1	109.8200	0.000	1	112.8924	3.845	8	112.3794	3.245	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	112.7590	0.000	1	112.7590	0.000	1	112.8924	3.845	8	112.3794	3.245	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH){1|S<4>,2|H<1>,3|C<3>}	112.5787	2.381	3	112.5787	5.667	3	112.8924	3.845	8	112.3794	3.245	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	114.3230	0.000	1	114.3230	0.000	1	112.8924	3.845	8	112.3794	3.245	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	110.4450	0.000	1	110.4450	0.000	1	111.3535	0.823	4	112.3794	3.245	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	111.1790	0.000	2	111.1790	0.000	2	111.3535	0.823	4	112.3794	3.245	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	112.6110	0.000	1	112.6110	0.000	1	111.3535	0.823	4	112.3794	3.245	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<3>,1|I<1>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	110.4470	0.854	2	110.4470	0.730	2	110.4470	0.730	2	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	111.8180	0.000	1	111.8180	0.000	1	112.6223	0.488	3	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	112.9710	0.000	1	112.9710	0.000	1	112.6223	0.488	3	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	113.0780	0.000	1	113.0780	0.000	1	112.6223	0.488	3	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	112.8495	0.513	2	112.8495	0.263	2	113.1648	1.043	5	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	111.8490	0.000	1	113.0970	3.115	2	113.1648	1.043	5	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	114.3450	0.000	1	113.0970	3.115	2	113.1648	1.043	5	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	113.9310	0.000	1	113.9310	0.000	1	113.1648	1.043	5	112.4941	1.538	12	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH){1|B<4>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	112.1510	0.000	1	112.1510	0.000	1	113.5643	8.578	9	113.5643	8.578	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN){1|C<4>,2|H<1>,4|C<3>}	111.6800	0.000	1	111.6800	0.000	1	113.5643	8.578	9	113.5643	8.578	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.0437	5.528	3	114.0437	30.556	3	113.5643	8.578	9	113.5643	8.578	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>,2|H<1>}	114.0707	0.443	3	114.0707	0.196	3	113.5643	8.578	9	113.5643	8.578	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	113.9050	0.000	1	113.9050	0.000	1	113.5643	8.578	9	113.5643	8.578	9	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	113.5840	0.000	1	113.5840	0.000	1	111.1407	2.762	4	111.1407	2.762	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	110.7500	0.000	1	110.7500	0.000	1	111.1407	2.762	4	111.1407	2.762	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(H){1|C<4>,3|H<1>,5|C<3>}	110.1145	0.240	2	110.1145	0.057	2	111.1407	2.762	4	111.1407	2.762	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]O[6]C)(COO){2|H<1>,3|C<3>}	112.6440	0.000	1	112.6440	0.000	1	112.6440	0.000	1	113.3732	0.707	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	113.0730	0.000	1	113.0730	0.000	1	113.4774	0.724	7	113.3732	0.707	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	113.5448	0.911	6	113.5448	0.831	6	113.4774	0.724	7	113.3732	0.707	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,3|C<3>,3|H<1>}	111.0780	0.850	2	111.0780	0.722	2	111.0780	0.722	2	111.2662	0.762	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	111.2662	0.762	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-2:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	111.2662	0.762	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	112.2165	0.207	2	112.2165	0.043	2	112.2165	0.043	2	111.2662	0.762	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:2:	4:3:3:	4:3:3:	C[6]-3:Si[6]-4:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr)	C[6a](C[6]Si[6]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6]Si[6]C[6]O)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	111.1360	0.811	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){4|H<1>,5|C<3>}	111.0980	0.000	1	111.0980	0.000	1	111.0980	0.000	1	111.1360	0.811	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	111.1360	0.811	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	107.5910	1.225	2	107.5910	1.500	2	107.5910	1.500	2	111.7819	8.013	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,4|C<3>}	115.1870	0.000	1	115.1870	0.000	1	116.8390	5.458	2	111.7819	8.013	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	118.4910	0.000	1	118.4910	0.000	1	116.8390	5.458	2	111.7819	8.013	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	113.0160	0.399	2	113.0160	0.159	2	111.6581	3.290	14	111.7819	8.013	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	111.2117	0.319	4	111.2566	4.551	8	111.6581	3.290	14	111.7819	8.013	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.3015	3.242	4	111.2566	4.551	8	111.6581	3.290	14	111.7819	8.013	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O){1|C<4>,2|C<3>,4|H<1>}	110.6940	0.086	2	110.6940	0.007	2	111.6581	3.290	14	111.7819	8.013	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	112.8705	0.986	2	112.8705	0.973	2	111.6581	3.290	14	111.7819	8.013	18	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:3:	3:4:3:	4:4:1:	C[6a]-3:C[3,6]-4:C[6]-3:C-3:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H)	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|C<4>,2|C<3>,4|H<1>}	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	109.3095	0.305	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|O<2>,2|S<2>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|H<1>,2|S<2>,3|C<3>}	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	109.3095	0.305	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:Br-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	109.8138	3.966	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H){3|C<2>,5|C<3>}	111.7970	0.000	1	111.7970	0.000	1	110.2563	4.149	6	109.8138	3.966	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H){2|H<1>,6|C<3>}	109.0510	0.000	1	109.0510	0.000	1	110.2563	4.149	6	109.8138	3.966	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.8810	0.000	1	108.8810	0.000	1	110.2563	4.149	6	109.8138	3.966	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	107.5630	0.000	1	107.5630	0.000	1	110.2563	4.149	6	109.8138	3.966	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	112.1230	0.897	2	112.1230	0.804	2	110.2563	4.149	6	109.8138	3.966	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	111.0940	0.000	1	111.0940	0.000	1	108.6400	2.688	4	109.8138	3.966	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.9620	0.000	1	107.9620	0.000	1	108.6400	2.688	4	109.8138	3.966	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	107.7520	0.072	2	107.7520	0.005	2	108.6400	2.688	4	109.8138	3.966	11	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:S-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC){1|C<4>,2|C<3>,4|H<1>}	110.4895	0.671	2	110.4895	0.450	2	110.4895	0.450	2	110.4895	0.450	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	105.6560	0.000	1	105.6560	0.000	1	110.2310	32.137	3	112.2754	10.183	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,2|I<1>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O){1|C<4>,2|C<3>,4|H<1>}	116.5730	0.000	1	116.5730	0.000	1	110.2310	32.137	3	112.2754	10.183	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O){1|C<4>,2|C<3>,4|H<1>}	108.4640	0.000	1	108.4640	0.000	1	110.2310	32.137	3	112.2754	10.183	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	115.5955	0.001	2	115.5955	0.000	2	112.8329	5.215	11	112.2754	10.183	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	110.5234	0.323	5	110.5234	0.104	5	112.8329	5.215	11	112.2754	10.183	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	114.7645	0.053	2	114.7645	0.003	2	112.8329	5.215	11	112.2754	10.183	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O){1|C<4>,2|C<3>,4|H<1>}	113.9125	0.087	2	113.9125	0.008	2	112.8329	5.215	11	112.2754	10.183	14	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:3:4:	3:3:4:	4:4:2:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,4|H<1>}	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O){1|O<2>,2|H<1>,5|C<3>}	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	112.3951	1.957	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|H<1>,1|S<4>,6|C<3>}	113.4720	0.034	2	113.4720	0.001	2	113.4720	0.001	2	112.3951	1.957	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|N<3>,2|H<1>,5|C<3>}	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	112.3951	1.957	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]C[6]H)(O){1|H<1>,2|O<1>,6|C<3>}	112.7900	0.157	2	112.7900	0.025	2	112.7900	0.025	2	112.3951	1.957	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]N[6,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	112.9330	0.000	1	112.9330	0.000	1	112.9330	0.000	1	112.3951	1.957	7	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	3:4:3:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:N-3:	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO){1|S<2>,2|C<4>,4|C<3>}	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	111.8370	2.525	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	3:4:3:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){10|C<3>,2|H<1>}	110.8673	0.691	3	110.8673	0.478	3	110.8673	0.478	3	111.8370	2.525	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	3:4:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	111.8370	2.525	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O){1|H<1>,1|N<2>,4|C<3>}	109.8750	0.000	1	111.9930	3.737	3	111.8942	2.836	15	111.8942	2.836	15	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O){1|H<1>,1|N<3>,4|C<3>}	113.0520	0.863	2	111.9930	3.737	3	111.8942	2.836	15	111.8942	2.836	15	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	112.7180	0.000	1	112.7180	0.000	1	111.8942	2.836	15	111.8942	2.836	15	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	114.3010	0.000	1	114.3010	0.000	1	111.8942	2.836	15	111.8942	2.836	15	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	114.4030	0.000	1	111.5415	2.721	10	111.8942	2.836	15	111.8942	2.836	15	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,4|C<3>}	110.8610	1.160	6	111.5415	2.721	10	111.8942	2.836	15	111.8942	2.836	15	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|H<1>,5|C<3>}	111.9487	1.774	3	111.5415	2.721	10	111.8942	2.836	15	111.8942	2.836	15	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH){1|H<1>,1|N<3>,4|C<3>}	112.5840	0.000	1	112.5840	0.000	1	112.9743	1.395	3	112.9743	1.395	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H){1|H<1>,5|C<3>}	112.0380	0.000	1	112.0380	0.000	1	112.9743	1.395	3	112.9743	1.395	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:2:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H){1|H<1>,5|C<3>}	114.3010	0.000	1	114.3010	0.000	1	112.9743	1.395	3	112.9743	1.395	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	110.3260	0.000	1	110.3260	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	113.4050	0.000	1	113.4050	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	111.8210	0.000	1	111.8210	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	111.8050	0.000	1	111.8050	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	112.8610	0.000	1	112.8610	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	111.0840	0.000	1	111.0840	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	110.8900	0.486	2	110.8900	0.237	2	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H){6|C<3>}	110.6170	0.793	2	110.6170	0.629	2	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){6|C<3>}	110.8660	0.000	1	110.8660	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	111.5800	0.844	2	111.5800	0.713	2	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	112.5690	0.000	1	112.5690	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	112.1170	0.882	2	112.1170	0.779	2	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	113.8435	2.476	2	113.8435	6.129	2	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	114.0950	0.000	1	114.0950	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,4|C<3>}	110.1635	0.120	2	110.1635	0.014	2	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,6|C<3>}	112.6620	0.000	1	112.0716	1.443	5	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,6|C<3>}	111.6590	1.499	3	112.0716	1.443	5	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	112.7190	0.000	1	112.0716	1.443	5	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,4|C<3>}	112.0062	1.889	6	111.9540	2.111	10	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,4|C<3>}	111.5040	0.000	1	111.9540	2.111	10	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,4|C<3>}	111.7890	0.816	2	111.9540	2.111	10	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	112.4210	0.000	1	111.9540	2.111	10	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]P)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]P)(H){1|C<4>,1|H<1>,3|C<3>}	111.6930	0.000	1	111.6930	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,6|C<3>}	113.3240	0.000	1	113.3665	0.004	2	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|N<3>,6|C<3>}	113.4090	0.000	1	113.3665	0.004	2	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	113.1180	0.000	1	113.1180	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|P<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){1|H<1>,1|P<4>,5|C<3>}	113.7050	0.000	1	113.7050	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	113.9540	0.000	1	113.9540	0.000	1	112.0561	1.894	42	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O)	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	112.8370	0.000	1	112.8370	0.000	1	111.8408	1.921	10	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|N<3>,4|C<3>}	111.3625	0.315	2	111.3625	0.099	2	111.8408	1.921	10	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	112.9045	0.552	2	112.9045	0.305	2	111.8408	1.921	10	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|H<1>,5|C<3>}	111.8480	0.000	1	111.8480	0.000	1	111.8408	1.921	10	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O){1|H<1>,7|C<3>}	113.3180	0.000	1	113.3180	0.000	1	111.8408	1.921	10	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	110.6237	1.809	3	110.6237	3.271	3	111.8408	1.921	10	112.0147	1.869	52	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:2:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(OC)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(OC){1|H<1>,1|N<3>,4|C<3>}	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	111.9630	0.000	1	111.9630	0.000	1	112.3822	0.428	5	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	112.4870	0.705	4	112.4870	0.497	4	112.3822	0.428	5	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.2720	0.000	1	110.2720	0.000	1	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.4670	0.000	1	113.4670	0.000	1	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	110.9750	0.000	1	110.9750	0.000	1	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.8540	0.000	1	113.8540	0.000	1	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|H<1>,2|C<4>,3|C<3>}	107.8353	2.018	3	107.8353	4.072	3	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO){2|H<1>,4|C<3>}	112.3360	0.000	1	112.3360	0.000	1	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	113.5020	0.000	1	113.5020	0.000	1	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	114.5980	0.000	1	114.5980	0.000	1	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.3280	0.000	1	112.3280	0.000	1	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.1975	0.278	2	113.1975	0.077	2	111.6333	6.686	13	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO){1|O<2>,5|C<3>}	116.1820	0.000	1	116.1820	0.000	1	116.1820	0.000	1	112.0698	5.656	19	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	112.7450	0.000	1	112.7450	0.000	1	112.9233	1.140	3	113.1130	0.904	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.9560	0.000	1	111.9560	0.000	1	112.9233	1.140	3	113.1130	0.904	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,3|C<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	114.0690	0.000	1	114.0690	0.000	1	112.9233	1.140	3	113.1130	0.904	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:3:4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	113.1130	0.904	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:4:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)2(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	114.6540	0.000	1	114.6540	0.000	1	112.2229	5.142	16	112.2229	5.142	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:4:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|N<3>,2|H<1>,4|C<3>}	114.1310	0.202	2	114.1310	0.041	2	112.2229	5.142	16	112.2229	5.142	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:4:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)2(O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(O){1|N<3>,2|H<1>,6|C<3>}	111.0797	2.109	10	111.5877	5.197	12	112.2229	5.142	16	112.2229	5.142	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:4:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)2(O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(O){1|N<3>,2|H<1>,6|C<3>}	114.1275	1.290	2	111.5877	5.197	12	112.2229	5.142	16	112.2229	5.142	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:4:1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	113.5980	0.000	1	113.5980	0.000	1	112.2229	5.142	16	112.2229	5.142	16	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:3:4:	4:4:3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H){2|H<1>,4|C<3>}	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	3:4:2:	3:4:4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<6>,1|H<1>,3|C<3>,4|B<6>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|C<6>,2|C<3>,4|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<6>,1|N<2>,2|H<1>,3|C<3>,4|B<6>}	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	111.9605	1.152	2	111.9605	1.327	2	111.9605	1.327	2	111.9605	1.327	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:2:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:Cl-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl){1|H<1>,2|C<3>,2|C<4>}	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	110.9498	1.431	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:2:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	112.7640	0.000	1	112.7640	0.000	1	112.0505	1.018	2	110.9498	1.431	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:2:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	111.3370	0.000	1	111.3370	0.000	1	112.0505	1.018	2	110.9498	1.431	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:2:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:O-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6])(O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	110.9498	1.431	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:2:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(O[6]C[6,6])(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.9498	1.431	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:2:3:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:C-3:	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH)	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2{2|F<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH){2|O<2>,4|C<3>}	112.1930	0.000	1	112.1930	0.000	1	111.2780	1.674	2	111.2780	1.674	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:2:3:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:C-3:	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH)	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2{2|F<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH){1|N<3>,1|O<2>,4|C<3>}	110.3630	0.000	1	110.3630	0.000	1	111.2780	1.674	2	111.2780	1.674	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[3,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[3,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[3,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H){2|C<4>,2|H<1>,4|C<3>}	115.5580	0.000	1	115.5580	0.000	1	115.2665	0.170	2	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H){2|C<4>,2|H<1>,4|C<3>}	114.9750	0.000	1	114.9750	0.000	1	115.2665	0.170	2	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H){6|C<3>}	113.5933	0.920	3	113.5933	0.847	3	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]Si)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]Si)(H){2|C<4>,2|H<1>,3|C<3>}	113.7860	0.000	1	113.7860	0.000	1	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	111.2835	0.746	2	111.2835	0.557	2	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	112.2190	0.000	1	112.2190	0.000	1	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	113.8800	0.000	1	112.0387	3.237	3	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	111.1180	1.178	2	112.0387	3.237	3	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	116.0810	0.344	2	116.4900	0.561	3	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	117.3080	0.000	1	116.4900	0.561	3	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	113.0160	0.000	1	113.0160	0.000	1	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	111.3840	0.547	13	111.3840	0.299	13	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	115.2680	0.000	1	115.2490	0.001	2	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	115.2300	0.000	1	115.2490	0.001	2	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]N[6])(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]N[6])(H){1|N<2>,6|C<3>}	114.0730	0.000	1	114.0730	0.000	1	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<3>,3|H<1>,8|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|B<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]O[6])(H){1|Li<3>,1|B<4>,6|C<3>}	113.1105	0.361	2	113.1105	0.131	2	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5a,6]H)(H)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5a,6]H)(H){1|N<3>,5|C<3>}	114.1205	0.005	2	114.1205	0.000	2	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,6|C<3>}	111.7160	0.000	1	111.7160	0.000	1	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H){1|C<4>,5|C<3>}	113.4580	0.369	2	113.4580	0.136	2	112.8003	3.043	37	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	113.6450	0.000	1	113.6450	0.000	1	113.6450	0.000	1	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H){1|C<4>,1|H<1>,1|N<3>,1|P<4>,5|C<3>}	113.2000	0.000	1	113.2000	0.000	1	113.2000	0.000	1	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	108.5560	0.000	1	108.5560	0.000	1	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[5a,6]C[6a])(H)	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[5a,6]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	114.9800	0.000	1	114.9800	0.000	1	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	113.6335	3.668	2	113.6335	13.452	2	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	111.7780	0.331	2	112.5771	1.210	10	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	112.9200	2.198	2	112.5771	1.210	10	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	112.7292	0.927	6	112.5771	1.210	10	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	113.1470	0.000	1	113.1470	0.000	1	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	112.4990	2.086	2	112.4990	4.351	2	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.7640	0.000	1	111.7640	0.000	1	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	114.2270	0.000	1	114.2270	0.000	1	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H){1|C<4>,4|C<3>}	109.6420	0.000	1	109.6420	0.000	1	112.5176	3.428	20	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	110.3150	0.581	2	110.3150	0.338	2	110.0293	0.414	3	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	109.4580	0.000	1	109.4580	0.000	1	110.0293	0.414	3	112.6774	3.319	65	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN){2|C<4>,2|H<1>,3|C<3>}	111.7190	0.000	1	111.7190	0.000	1	113.1368	2.975	6	113.1368	2.975	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	114.9635	0.671	2	114.9635	0.450	2	113.1368	2.975	6	113.1368	2.975	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN){1|N<3>,5|C<3>}	114.0320	0.000	1	114.0320	0.000	1	113.1368	2.975	6	113.1368	2.975	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN){1|C<4>,1|S<2>,2|C<2>,3|C<3>}	111.5715	0.193	2	111.5715	0.037	2	113.1368	2.975	6	113.1368	2.975	6	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	112.6840	0.905	2	112.6840	0.819	2	112.6840	0.819	2	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>,3|N<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O){2|C<3>,2|H<1>,4|C<4>}	113.5980	0.000	1	113.5980	0.000	1	116.0798	2.753	4	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO){3|C<3>,3|C<4>,4|H<1>}	116.9070	0.152	3	116.9070	0.023	3	116.0798	2.753	4	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH){1|C<4>,3|C<3>,3|H<1>}	112.2030	0.000	1	112.2030	0.000	1	110.9852	1.661	12	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	111.2100	0.716	2	111.2100	0.512	2	110.9852	1.661	12	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,4|C<3>}	112.3570	0.000	1	112.3570	0.000	1	110.9852	1.661	12	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,4|C<3>}	109.9592	1.264	4	109.9592	1.597	4	110.9852	1.661	12	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	110.0520	0.000	1	110.0520	0.000	1	110.9852	1.661	12	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	111.9440	0.000	1	111.9440	0.000	1	110.9852	1.661	12	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO){1|C<4>,2|H<1>,4|C<3>}	111.5050	1.721	2	111.5050	2.962	2	110.9852	1.661	12	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C-3:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO){1|C<4>,2|H<1>,2|S<2>,4|C<3>}	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){2|C<3>,2|C<4>,3|H<1>}	113.6510	0.000	1	113.6510	0.000	1	113.6037	1.413	3	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO){2|C<4>,2|H<1>,3|C<3>}	112.3920	0.000	1	112.3920	0.000	1	113.6037	1.413	3	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	114.7680	0.000	1	114.7680	0.000	1	113.6037	1.413	3	112.5430	5.425	22	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,3|H<1>}	114.1570	0.000	1	114.1570	0.000	1	114.1570	0.000	1	114.0155	0.040	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:3:4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO){3|C<4>,4|C<3>}	113.8740	0.000	1	113.8740	0.000	1	113.8740	0.000	1	114.0155	0.040	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	114.1693	0.863	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:4:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	114.0475	0.047	2	114.0475	0.002	2	113.7540	0.260	3	114.1693	0.863	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:4:1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.1670	0.000	1	113.1670	0.000	1	113.7540	0.260	3	114.1693	0.863	4	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:1:	4:3:3:	4:4:3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH){1|O<2>,2|H<1>,4|C<3>}	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:2:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O){1|S<2>,2|C<4>,2|H<1>,4|C<3>}	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:2:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O){1|H<1>,5|C<3>}	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:2:	3:3:4:	4:4:2:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Br<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	117.0390	0.000	1	118.2383	1.208	3	118.2383	1.208	3	118.2383	1.208	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:2:	3:3:4:	4:4:2:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Br<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	118.8380	0.509	2	118.2383	1.208	3	118.2383	1.208	3	118.2383	1.208	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:2:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]C)(H){1|C<4>,6|C<3>}	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:3:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O){2|C<4>,4|C<3>}	112.4520	0.812	2	112.4520	0.659	2	112.4520	0.659	2	112.4520	0.659	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:3:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O){2|H<1>,4|C<3>}	109.5650	0.000	1	109.5650	0.000	1	108.9420	0.776	2	108.9420	0.776	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:3:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]N)(N[6]C[6]C)(O){1|H<1>,5|C<3>}	108.3190	0.000	1	108.3190	0.000	1	108.9420	0.776	2	108.9420	0.776	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:3:	3:3:4:	4:4:1:	C[6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	108.3255	2.751	2	108.3255	7.570	2	108.3255	7.570	2	108.3255	7.570	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O)	C[6a](C[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]2)(C[6]N[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]2)(C[6]N[6]C)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	110.1720	9.284	2	110.1720	86.198	2	110.1720	86.198	2	110.1720	86.198	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:3:	4:3:3:	4:3:2:	C[6]-4:C[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,9|C<3>}	110.6465	3.932	2	110.6465	15.462	2	110.6465	15.462	2	110.6465	15.462	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(H){6|C<3>}	104.8645	0.552	2	104.8645	0.305	2	104.8645	0.305	2	109.1838	15.504	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(O[6]C[5a,6])(O)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[5a,6])(O){1|H<1>,1|N<3>,4|C<3>}	109.2843	4.120	3	109.2843	16.972	3	110.6235	11.695	6	109.1838	15.504	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6,6a])(O){2|H<1>,4|C<3>}	108.9820	0.000	1	108.9820	0.000	1	110.6235	11.695	6	109.1838	15.504	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|H<1>,5|C<3>}	113.4530	0.668	2	113.4530	0.446	2	110.6235	11.695	6	109.1838	15.504	8	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	3:3:4:	4:2:2:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:S-2:	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(SC)	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,2|C<3>,2|S<2>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(SC){1|H<1>,1|S<2>,4|C<3>}	110.3465	0.599	2	110.3465	0.359	2	110.3465	0.359	2	110.3465	0.359	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]Si)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]Si)(H){2|C<4>,4|C<3>}	110.8930	1.633	2	110.8930	2.668	2	109.8487	4.606	3	109.8487	4.606	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	107.7600	0.000	1	107.7600	0.000	1	109.8487	4.606	3	109.8487	4.606	3	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	4:3:3:	4:2:1:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[5,6]C[6a]C)(O[6]C[6])(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]C)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	111.9352	1.046	4	111.9352	1.095	4	111.9352	1.095	4	111.6040	1.370	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	4:3:3:	4:2:1:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]C)(O[6]C[6])(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]C)(O[6]C[6])(O){1|H<1>,5|C<3>}	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	111.6040	1.370	5	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	4:3:3:	4:3:4:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3)	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3){1|F<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:3:4:	4:3:3:	4:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:4:3:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]2)(O[6]C[6])(O){2|C<4>,4|C<3>,4|H<1>}	108.0220	0.400	2	108.0220	0.160	2	108.0220	0.160	2	108.0220	0.160	2	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	0:SP3_SP2_SP2	C[6]	C[6a]	C[6]	4:3:4:3:	4:3:3:	4:2:3:	C[6]-4:C[6a]-3:P[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-2:C-3:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C)	C[6a](C[6]C[6]2P[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]2P[6])(C[6a]C[6a]H)2{1|O<1>,1|S<2>,3|C<3>,3|H<1>,3|O<2>}	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	111.6180	0.000	1	111.6180	0.000	1	111.6180	0.000	1	111.6180	0.000	1	111.5670	5.284	1770	111.5919	5.601	2366
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl)	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl){1|Cl<1>,3|C<4>,6|C<3>}	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl){3|Cl<1>,4|C<3>,5|C<4>}	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	110.5070	3.359	2	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[6,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl)	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl){2|Cl<1>,3|C<4>,6|C<3>}	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl){3|Cl<1>,4|C<3>,5|C<4>}	109.2110	0.000	1	109.2110	0.000	1	109.2110	0.000	1	110.5070	3.359	2	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[3x6]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	105.4675	0.839	4	105.4675	0.703	4	105.4675	0.703	4	104.9043	1.184	6	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	103.7350	0.000	1	103.7780	0.004	2	103.7780	0.004	2	104.9043	1.184	6	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|N<2>,2|H<1>,5|C<3>}	103.8210	0.000	1	103.7780	0.004	2	103.7780	0.004	2	104.9043	1.184	6	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5x6]-3:C[3x6]-4:Si[6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC){1|C<4>,8|C<3>}	106.6120	0.759	2	106.6120	0.577	2	106.6120	0.577	2	106.6120	0.577	2	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	105.7020	0.483	4	105.5117	0.213	20	105.4379	0.295	26	105.4379	0.295	26	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	105.4641	0.460	16	105.5117	0.213	20	105.4379	0.295	26	105.4379	0.295	26	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	104.9410	0.830	4	104.9410	0.689	4	105.4379	0.295	26	105.4379	0.295	26	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	105.6940	0.181	2	105.6940	0.033	2	105.4379	0.295	26	105.4379	0.295	26	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	104.0237	1.558	6	104.0680	1.743	8	104.0680	1.743	8	104.0680	1.743	8	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	104.2010	0.143	2	104.0680	1.743	8	104.0680	1.743	8	104.0680	1.743	8	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[3x6]	4:3:3:3:	4:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	107.8300	0.000	1	107.8300	0.000	1	107.8300	0.000	1	107.8300	0.000	1	105.5140	2.400	47	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:3:4:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	106.4660	1.073	2	106.4660	1.152	2	106.2907	0.668	3	106.2907	0.668	3	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:3:4:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H){3|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	105.9400	0.000	1	105.9400	0.000	1	106.2907	0.668	3	106.2907	0.668	3	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	104.9365	1.131	2	104.9365	1.278	2	104.5030	1.203	3	104.5030	1.203	3	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H){3|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	103.6360	0.000	1	103.6360	0.000	1	104.5030	1.203	3	104.5030	1.203	3	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H){5|C<3>}	104.9850	0.088	2	104.9850	0.008	2	104.9850	0.008	2	105.3858	1.632	12	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H){1|O<1>,3|C<3>,4|C<4>}	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	105.3858	1.632	12	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br){2|H<1>,3|C<3>}	104.4765	0.216	2	104.4765	0.047	2	104.4765	0.047	2	105.3858	1.632	12	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Se<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|Se<3>,4|C<3>}	105.2950	0.000	1	105.2950	0.000	1	105.3008	0.128	6	105.3858	1.632	12	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|H<1>,3|C<3>}	105.4085	0.507	2	105.4085	0.257	2	105.3008	0.128	6	105.3858	1.632	12	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	104.7940	0.000	1	104.7940	0.000	1	105.3008	0.128	6	105.3858	1.632	12	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	105.4495	0.247	2	105.4495	0.061	2	105.3008	0.128	6	105.3858	1.632	12	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O){1|C<4>,1|H<1>,3|C<3>}	104.6770	0.000	1	104.6770	0.000	1	104.6770	0.000	1	105.3858	1.632	12	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[5,6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	105.4530	0.826	5	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[5,6,6]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Se<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2){1|Se<3>,4|H<1>,6|C<3>}	105.5380	0.000	1	105.5380	0.000	1	105.5380	0.000	1	105.4530	0.826	5	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	105.2070	0.000	1	105.2070	0.000	1	104.9187	0.069	3	105.4530	0.826	5	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O){2|H<1>,3|C<3>}	104.8540	0.000	1	104.8540	0.000	1	104.9187	0.069	3	105.4530	0.826	5	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	104.6950	0.000	1	104.6950	0.000	1	104.9187	0.069	3	105.4530	0.826	5	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<3>,2|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|C<4>,3|C<3>}	107.7260	0.000	1	108.5566	1.057	10	108.5566	1.057	10	108.5566	1.057	10	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pd<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<2>,1|C<4>,3|C<3>}	108.5050	0.919	4	108.5566	1.057	10	108.5566	1.057	10	108.5566	1.057	10	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pd<5>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<5>,1|C<4>,3|C<3>}	108.6705	1.374	2	108.5566	1.057	10	108.5566	1.057	10	108.5566	1.057	10	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pt<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pt<2>,1|C<4>,3|C<3>}	108.8263	1.440	3	108.5566	1.057	10	108.5566	1.057	10	108.5566	1.057	10	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|S<2>,6|C<3>}	105.7280	0.605	2	106.1683	0.386	6	106.1683	0.386	6	106.1683	0.386	6	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,3|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|Se<2>,6|C<3>}	105.9790	0.426	2	106.1683	0.386	6	106.1683	0.386	6	106.1683	0.386	6	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|O<2>,2|H<1>,5|C<3>}	106.7980	0.362	2	106.1683	0.386	6	106.1683	0.386	6	106.1683	0.386	6	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	106.6782	0.714	16	106.6521	0.479	18	106.6521	0.479	18	106.2905	0.693	26	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<3>,2|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|Se<3>,3|H<1>,7|C<3>}	106.4430	0.629	2	106.6521	0.479	18	106.6521	0.479	18	106.2905	0.693	26	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	105.4771	0.470	8	105.4771	0.221	8	105.4771	0.221	8	106.2905	0.693	26	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6]-3:C[3x6]-4:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd){1|C<4>,1|H<1>,5|C<3>}	105.3208	0.511	4	105.3208	0.261	4	105.2952	0.198	8	105.2952	0.198	8	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6]-3:C[3x6]-4:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt){1|C<4>,1|H<1>,5|C<3>}	105.2698	0.445	4	105.2698	0.198	4	105.2952	0.198	8	105.2952	0.198	8	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	104.9935	0.612	2	105.7575	0.922	4	106.0014	0.307	13	105.3293	1.035	25	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	106.5215	0.237	2	105.7575	0.922	4	106.0014	0.307	13	105.3293	1.035	25	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	106.0250	0.238	2	106.0250	0.056	2	106.0014	0.307	13	105.3293	1.035	25	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H){1|H<1>,4|C<3>}	106.4445	0.450	2	106.4445	0.203	2	106.0014	0.307	13	105.3293	1.035	25	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	105.9897	0.101	3	106.0098	0.006	5	106.0014	0.307	13	105.3293	1.035	25	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	106.0400	0.037	2	106.0098	0.006	5	106.0014	0.307	13	105.3293	1.035	25	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O){1|H<1>,4|C<3>}	104.1785	1.071	4	104.1785	1.147	4	104.6012	0.811	12	105.3293	1.035	25	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O){1|H<1>,4|C<3>}	104.7960	1.047	4	104.8126	0.630	8	104.6012	0.811	12	105.3293	1.035	25	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O){1|H<1>,4|C<3>}	104.8293	0.609	4	104.8126	0.630	8	104.6012	0.811	12	105.3293	1.035	25	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:N-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]){1|H<1>,4|C<3>}	105.5408	1.560	15	105.5408	2.434	15	105.5408	2.434	15	105.5412	2.194	17	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:S-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC){1|H<1>,4|C<3>}	105.5440	1.014	2	105.5440	1.028	2	105.5440	1.028	2	105.5412	2.194	17	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|Cl<1>,1|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	105.2545	0.049	2	105.2545	0.002	2	105.8325	0.721	24	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	106.1923	0.810	8	105.7939	0.696	18	105.8325	0.721	24	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	105.4710	0.511	2	105.7939	0.696	18	105.8325	0.721	24	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|Pd<4>,4|C<3>}	104.6980	0.600	2	105.7939	0.696	18	105.8325	0.721	24	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){5|C<3>}	106.0030	0.666	2	105.7939	0.696	18	105.8325	0.721	24	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	105.6020	0.831	4	105.7939	0.696	18	105.8325	0.721	24	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO){1|H<1>,4|C<3>}	106.4905	0.373	2	106.4905	0.139	2	105.8325	0.721	24	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO){1|H<1>,4|C<3>}	106.0995	1.701	2	106.0995	2.892	2	105.8325	0.721	24	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Te<2>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){1|Te<2>,2|H<1>,6|C<3>}	106.4155	0.975	2	106.4155	0.951	2	105.8394	1.174	19	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	105.8625	0.917	2	105.8625	0.841	2	105.8394	1.174	19	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	106.1363	0.340	3	105.7595	1.327	15	105.8394	1.174	19	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	105.6653	1.273	12	105.7595	1.327	15	105.8394	1.174	19	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Cu)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Cu){1|H<1>,4|C<3>}	104.3942	0.635	4	104.3942	0.403	4	104.3647	1.052	68	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni){1|H<1>,4|C<3>}	104.5560	0.243	2	104.2426	1.285	28	104.3647	1.052	68	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni){1|H<1>,4|C<3>}	104.2185	1.173	26	104.2426	1.285	28	104.3647	1.052	68	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd){1|H<1>,4|C<3>}	103.6655	0.050	2	104.4393	1.002	34	104.3647	1.052	68	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd){1|H<1>,4|C<3>}	104.4877	1.013	32	104.4393	1.002	34	104.3647	1.052	68	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd){1|H<1>,4|C<3>}	104.7480	0.759	2	104.7480	0.577	2	104.3647	1.052	68	104.9345	1.501	111	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	106.4576	0.369	8	106.4576	0.137	8	106.6030	0.721	18	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O){1|H<1>,4|C<3>}	106.8975	1.098	8	106.8975	1.205	8	106.6030	0.721	18	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3){1|H<1>,4|C<3>}	106.0065	1.138	2	106.0065	1.294	2	106.6030	0.721	18	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6]C[6]2Ru)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H){1|Ru<9>,1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6]C[6]2Ru){2|C<4>,3|H<1>,4|C<3>}	104.9650	1.256	2	104.9650	1.577	2	104.9650	1.577	2	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O){1|H<1>,4|C<3>}	105.7850	0.812	2	105.7850	0.659	2	105.6207	1.013	39	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6])(PC[6a]2Ru)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6])(PC[6a]2Ru){1|H<1>,2|C<4>,4|C<3>}	105.4040	0.472	2	105.4040	0.223	2	105.6207	1.013	39	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au){1|H<1>,6|C<3>}	105.2857	0.574	4	105.2857	0.330	4	105.6207	1.013	39	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd){1|C<4>,6|C<3>}	105.6505	1.220	8	105.6351	1.969	12	105.6207	1.013	39	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd){1|H<1>,6|C<3>}	105.6043	1.935	4	105.6351	1.969	12	105.6207	1.013	39	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Au)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Au){1|H<1>,6|C<3>}	105.6685	0.837	2	105.6685	0.700	2	105.6207	1.013	39	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Pd)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Pd){1|H<1>,6|C<3>}	105.8618	1.071	5	105.8618	1.147	5	105.6207	1.013	39	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O){1|H<1>,4|C<3>}	105.6183	0.894	12	105.6183	0.800	12	105.6207	1.013	39	105.8982	1.138	59	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:4:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[3x6]C[5]2)(C[3x6]C[6,6,6a]2H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[3x6]C[5]2)(C[3x6]C[6,6,6a]2H)(O){1|H<1>,2|O<1>,6|C<3>}	104.6670	1.028	2	104.6670	1.057	2	104.6670	1.057	2	104.6670	1.057	2	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6]-4:C[3x6]-4:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	106.2815	2.023	2	106.2815	4.093	2	106.2815	4.093	2	106.2815	4.093	2	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C[6a])(C[6a]C[6a,6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C[6a])(C[6a]C[6a,6a]2){10|C<3>,1|H<1>}	104.7270	0.269	2	104.7270	0.072	2	104.7270	0.072	2	104.7270	0.072	2	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,7|C<3>}	105.9580	2.496	2	106.0785	1.176	10	106.0785	1.176	10	105.6394	3.314	14	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|Fe<8>,4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Fe<8>,1|H<1>,7|C<3>}	106.1605	0.306	2	106.0785	1.176	10	106.0785	1.176	10	105.6394	3.314	14	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|Se<1>,4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Se<1>,1|H<1>,7|C<3>}	106.0230	1.168	4	106.0785	1.176	10	106.0785	1.176	10	105.6394	3.314	14	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|W<6>,4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,1|W<6>,7|C<3>}	106.2280	0.257	2	106.0785	1.176	10	106.0785	1.176	10	105.6394	3.314	14	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	104.1205	4.431	2	104.1205	19.638	2	104.5415	8.581	4	105.6394	3.314	14	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	104.9625	2.323	2	104.9625	5.396	2	104.5415	8.581	4	105.6394	3.314	14	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[5,6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	104.0795	1.378	2	104.0795	1.899	2	104.0795	1.899	2	104.0795	1.899	2	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	105.4635	1.098	2	105.4635	1.206	2	105.4635	1.206	2	105.4635	1.206	2	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:4:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3)	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3){1|B<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	105.0745	0.049	2	105.0745	0.002	2	105.0745	0.002	2	105.0745	0.002	2	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:4:	4:3:3:	3:4:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H){1|O<2>,2|H<1>,5|C<3>}	105.3090	0.061	2	105.3090	0.004	2	105.3090	0.004	2	105.3090	0.004	2	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	104.9660	0.581	2	104.9660	0.338	2	104.9660	0.338	2	104.5124	0.415	16	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	104.4928	0.574	8	104.4928	0.330	8	104.4928	0.330	8	104.5124	0.415	16	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe){3|C<4>,4|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	104.3875	0.784	6	104.3875	0.614	6	104.3875	0.614	6	104.5124	0.415	16	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:3:4:	4:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:4:3:	4:2:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(O[6,6]C[3x6])(CCO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(O[6,6]C[3x6])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.0310	0.000	1	107.0310	0.000	1	107.0310	0.000	1	107.0310	0.000	1	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	107.4630	0.390	2	107.4630	0.152	2	107.8153	0.449	3	107.7665	0.567	13	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	108.5200	0.000	1	108.5200	0.000	1	107.8153	0.449	3	107.7665	0.567	13	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	107.0060	0.064	2	107.0060	0.004	2	107.7519	0.656	10	107.7665	0.567	13	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	107.9070	0.000	1	107.9070	0.000	1	107.7519	0.656	10	107.7665	0.567	13	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	107.7498	1.130	4	107.7498	1.276	4	107.7519	0.656	10	107.7665	0.567	13	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.7330	0.000	1	107.7330	0.000	1	107.7519	0.656	10	107.7665	0.567	13	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	108.4490	0.000	1	108.4490	0.000	1	107.7519	0.656	10	107.7665	0.567	13	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	108.4190	0.000	1	108.4190	0.000	1	107.7519	0.656	10	107.7665	0.567	13	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[3,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	106.7445	0.238	2	106.7445	0.057	2	106.7445	0.057	2	107.4208	0.568	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[4,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	106.3460	0.406	2	106.3460	0.165	2	106.3460	0.165	2	107.4208	0.568	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	107.6805	0.033	2	107.6805	0.001	2	107.8322	0.029	6	107.4208	0.568	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	107.8080	0.000	1	107.8080	0.000	1	107.8322	0.029	6	107.4208	0.568	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	107.7370	0.000	1	107.7370	0.000	1	107.8322	0.029	6	107.4208	0.568	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.0435	0.012	2	108.0435	0.000	2	107.8322	0.029	6	107.4208	0.568	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	108.4550	0.000	1	108.4550	0.000	1	108.4550	0.000	1	107.4208	0.568	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:2:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:3:	3:4:3:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(O){2|C<4>,2|H<1>,4|C<3>}	106.5620	0.416	2	106.5620	0.173	2	106.5620	0.173	2	106.5620	0.173	2	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	107.3367	0.410	3	107.3367	0.168	3	107.3367	0.168	3	107.3367	0.168	3	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:4:	3:4:3:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|H<1>,2|C<4>,3|C<3>}	105.1070	0.000	1	105.1070	0.000	1	105.0131	0.421	11	105.0131	0.421	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:4:	3:4:3:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|C<4>,2|H<1>,3|C<3>}	104.7345	0.902	4	104.8172	0.644	5	105.0131	0.421	11	105.0131	0.421	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:4:	3:4:3:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|C<4>,2|H<1>,3|C<3>}	105.1480	0.000	1	104.8172	0.644	5	105.0131	0.421	11	105.0131	0.421	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	3:4:3:4:	3:4:3:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3)	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|C<4>,2|C<3>,3|H<1>}	105.1902	0.565	5	105.1902	0.319	5	105.0131	0.421	11	105.0131	0.421	11	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	4:3:3:1:	3:4:3:	4:3:1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a]){3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	107.1695	0.692	2	107.1695	0.479	2	107.1695	0.479	2	107.1695	0.479	2	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O)	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	106.6727	0.264	4	106.6727	0.070	4	106.6727	0.070	4	106.6727	0.070	4	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	6:3:3:1:	4:3:3:	4:3:1:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	103.3485	0.749	2	103.3485	0.561	2	103.9877	1.506	3	104.2400	1.259	4	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	6:3:3:1:	4:3:3:	4:3:1:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	105.2660	0.000	1	105.2660	0.000	1	103.9877	1.506	3	104.2400	1.259	4	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6]	6:3:3:1:	4:3:3:	4:3:1:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H){1|C<4>,3|C<3>,5|B<6>,5|H<1>}	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	104.9970	0.000	1	104.9970	0.000	1	104.9970	0.000	1	104.2400	1.259	4	105.6413	2.067	382	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[3x6]	3:3:4:3:	4:3:3:	4:4:3:	C[6,6a]-3:C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6,6]	3:4:3:4:	4:3:3:	4:3:2:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6]-3:N[6]-2:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(N[6]C[6])	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(N[6]C[6]){1|N<3>,3|C<3>,7|H<1>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[4x6]	C[3x6,6a]	C[6,6]	3:3:3:2:	4:3:3:	4:3:3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[4x6]-4:C[6,6,6a]-3:C[6,6a]-3:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6])	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6]){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	C[3x6]	3:3:3:4:	4:3:3:	4:4:3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	C[4x6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|H<1>,6|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	103.0885	0.019	2	103.0885	0.000	2	103.0885	0.000	2	103.0885	0.000	2	103.0885	0.000	2	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	C[5x6]	3:3:3:3:	4:3:3:	4:4:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	104.6470	0.000	1	104.6470	0.000	1	104.6470	0.000	1	104.6470	0.000	1	104.6470	0.000	1	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|H<1>,6|C<3>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H){1|H<1>,6|C<3>}	103.9605	0.183	2	103.9605	0.034	2	103.9605	0.034	2	103.9605	0.034	2	104.6188	0.843	4	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,9|C<3>}	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	104.6188	0.843	4	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	C[6,6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6]-3:O-1:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(C[6,6]C[3x6]O)(O)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(C[6,6]C[3x6]O)(O){2|C<4>,3|C<3>,3|H<1>}	104.6600	0.000	1	104.6600	0.000	1	104.6600	0.000	1	104.6600	0.000	1	104.6188	0.843	4	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[4x6]	C[6,6a]	C[4x6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	111.9265	0.480	2	111.9265	0.231	2	111.9265	0.231	2	111.9265	0.231	2	111.9265	0.231	2	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[4x6]	C[6,6a]	C[5x6]	3:3:3:3:	4:3:3:	4:4:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,6|C<3>}	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[5x6]	C[6,6,6a]	C[5x6]	4:3:3:3:	4:3:3:	4:4:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	104.7480	0.000	1	102.8960	6.860	2	102.8960	6.860	2	102.8960	6.860	2	102.8960	6.860	2	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[5x6]	C[6,6,6a]	C[5x6]	4:3:3:3:	4:3:3:	4:4:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	101.0440	0.000	1	102.8960	6.860	2	102.8960	6.860	2	102.8960	6.860	2	102.8960	6.860	2	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:2:3:2:	3:3:4:	4:3:1:	C[6,6,6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O)	C[6](C[6,6]C[6,6,6a]O[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC){1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]O)(C[6]C[6]H)(H){1|O<1>,3|C<3>}	112.6705	0.108	2	112.6705	0.012	2	112.6705	0.012	2	112.6705	0.012	2	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6,6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H){1|O<2>,7|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H){3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO){4|C<3>}	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6]){1|N<2>,1|O<1>,9|C<3>}	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|Se<2>,1|N<2>,6|C<3>}	110.2800	0.000	1	110.2800	0.000	1	110.2800	0.000	1	110.2800	0.000	1	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	105.5170	0.000	1	105.7175	0.080	2	106.1280	0.284	4	106.1280	0.284	4	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	105.9180	0.000	1	105.7175	0.080	2	106.1280	0.284	4	106.1280	0.284	4	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O){1|H<1>,4|C<3>}	106.5385	0.315	2	106.5385	0.099	2	106.1280	0.284	4	106.1280	0.284	4	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:3:3:2:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[3,6]-4:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[3,6]C[3,6]O[3]H)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[3,6]C[3,6]O[3]H)(O){1|H<1>,4|C<3>}	103.3730	0.755	2	103.3730	0.570	2	103.3730	0.570	2	103.1087	0.495	3	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:3:3:2:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	102.5800	0.000	1	102.5800	0.000	1	102.5800	0.000	1	103.1087	0.495	3	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:3:3:3:	3:3:4:	4:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,8|C<3>}	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,5|C<3>}	110.5510	0.000	1	110.5510	0.000	1	110.5510	0.000	1	110.5510	0.000	1	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:3:3:3:	3:3:4:	4:3:2:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6]){11|C<3>,1|N<2>}	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6]){10|C<3>,2|H<1>}	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:4:3:3:	3:3:4:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	112.8850	0.000	1	112.5580	0.214	2	112.5580	0.214	2	112.5580	0.214	2	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	3:4:3:3:	3:3:4:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	112.2310	0.000	1	112.5580	0.214	2	112.5580	0.214	2	112.5580	0.214	2	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	4:3:3:1:	3:4:3:	4:3:4:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH)	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH){1|H<1>,1|O<1>,4|C<3>}	116.0255	0.937	2	116.0255	0.878	2	116.0255	0.878	2	116.0255	0.878	2	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6]	4:3:3:4:	3:3:4:	4:3:1:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6,6a]C[6,6]C)(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,8|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]C)(C[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	111.0695	0.289	2	111.0695	0.084	2	111.0695	0.084	2	111.0695	0.084	2	109.5108	16.919	19	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:2:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,4|C<3>}	113.7875	0.105	2	113.7875	0.011	2	113.7875	0.011	2	113.7875	0.011	2	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	105.6300	0.815	2	105.6300	0.664	2	105.6300	0.664	2	105.6300	0.664	2	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[6,6a]-3:N[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]N[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	105.4850	0.000	1	105.4850	0.000	1	105.4850	0.000	1	105.4850	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:3:2:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH){6|C<3>}	106.8100	0.000	1	106.8100	0.000	1	106.8100	0.000	1	106.8100	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(O){3|C<3>,5|H<1>}	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:B[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,6|C<3>}	116.0120	0.000	1	116.0120	0.000	1	116.0120	0.000	1	116.0120	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	115.3600	0.112	2	115.3600	0.012	2	115.3600	0.012	2	115.7140	0.382	3	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	115.7140	0.382	3	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	109.5560	0.000	1	109.5560	0.000	1	110.1055	2.453	4	110.1055	2.453	4	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	108.2200	0.000	1	108.2200	0.000	1	110.1055	2.453	4	110.1055	2.453	4	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){2|H<1>,5|C<3>}	111.8410	0.000	1	111.8410	0.000	1	110.1055	2.453	4	110.1055	2.453	4	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	110.8050	0.000	1	110.8050	0.000	1	110.1055	2.453	4	110.1055	2.453	4	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:1:	4:3:3:	4:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){3|C<3>,3|C<4>,6|H<1>}	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:2:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H){1|O<2>,4|C<3>,5|H<1>}	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:3:	4:3:3:	4:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH){3|C<3>,5|H<1>}	109.0926	0.861	8	109.0926	0.741	8	109.0926	0.741	8	109.0926	0.741	8	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:4:	4:3:3:	4:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	113.8410	0.000	1	113.8410	0.000	1	114.1658	0.048	4	114.1658	0.048	4	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:4:	4:3:3:	4:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	114.2340	0.000	1	114.2340	0.000	1	114.1658	0.048	4	114.1658	0.048	4	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:3:4:4:	4:3:3:	4:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	114.2940	0.000	2	114.2940	0.000	2	114.1658	0.048	4	114.1658	0.048	4	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){1|C<4>,6|C<3>}	111.5780	0.000	1	111.5780	0.000	1	111.5780	0.000	1	111.5780	0.000	1	111.1800	10.075	33	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:2:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|H<1>,6|C<3>}	110.4280	0.095	3	110.4920	0.022	4	110.4920	0.022	4	110.4920	0.022	4	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:2:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|H<1>,6|C<3>}	110.6840	0.000	1	110.4920	0.022	4	110.4920	0.022	4	110.4920	0.022	4	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:2:4:3:	3:4:3:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|C<4>,2|H<1>,5|C<3>}	109.6827	0.337	3	109.6827	0.114	3	109.6827	0.114	3	110.1750	1.045	4	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:2:4:3:	3:4:3:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	110.1750	1.045	4	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]2N[5a,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]2N[5a,6])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	113.0610	0.000	1	113.0610	0.000	1	113.0610	0.000	1	113.0610	0.000	1	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:4:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	110.9090	14.408	2	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,5|C<3>}	113.5930	0.000	1	113.5930	0.000	1	113.5930	0.000	1	110.9090	14.408	2	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:2:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|C<4>,2|H<1>,5|C<3>}	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6]){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.4080	0.000	1	112.4080	0.000	1	112.4930	0.014	2	112.4930	0.014	2	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	112.5780	0.000	1	112.5780	0.000	1	112.4930	0.014	2	112.4930	0.014	2	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:4:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]P[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H){1|C<4>,1|P<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]P[6]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.2030	0.000	1	115.2030	0.000	1	115.2030	0.000	1	109.5235	64.513	2	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6]	3:4:4:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)(O){2|C<3>,3|C<4>,4|H<1>}	103.8440	0.000	1	103.8440	0.000	1	103.8440	0.000	1	109.5235	64.513	2	110.7870	6.325	17	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[3x6]	3:3:1:1:	3:4:3:	4:3:4:	C[6,6a]-3:C[3x6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	112.5915	0.313	8	112.5915	0.098	8	112.5915	0.098	8	112.5915	0.098	8	112.5915	0.098	8	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H){1|Ru<6>,2|H<1>,3|C<3>}	111.4340	0.000	1	111.4340	0.000	1	111.0955	0.229	2	113.2162	3.845	5	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	110.7570	0.000	1	110.7570	0.000	1	111.0955	0.229	2	113.2162	3.845	5	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru){2|H<1>,4|C<3>}	114.6300	0.284	3	114.6300	0.081	3	114.6300	0.081	3	113.2162	3.845	5	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:1:1:	3:4:3:	4:3:4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:1:1:	3:4:3:	4:4:3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:2:1:	3:4:3:	4:2:3:	C[6,6a]-3:C[6,6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O[6,6]-2:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]HO)(O[6,6]C[6,6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(O[6,6]C[6,6])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	103.9180	0.000	1	103.9180	0.000	1	103.9180	0.000	1	103.9180	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	108.9230	0.000	1	108.9230	0.000	1	108.7530	0.058	2	108.7530	0.058	2	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	108.5830	0.000	1	108.5830	0.000	1	108.7530	0.058	2	108.7530	0.058	2	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	109.1230	0.000	1	109.1230	0.000	1	109.5585	0.179	4	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.4140	0.000	1	109.7037	0.142	3	109.5585	0.179	4	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	110.1300	0.000	1	109.7037	0.142	3	109.5585	0.179	4	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.5670	0.000	1	109.7037	0.142	3	109.5585	0.179	4	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	110.4160	0.000	1	110.4160	0.000	1	110.1357	0.130	3	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,3|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	109.9955	0.378	2	109.9955	0.143	2	110.1357	0.130	3	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	110.8840	0.366	2	110.8840	0.134	2	110.8840	0.134	2	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	110.9850	0.000	1	110.9850	0.000	1	109.5836	0.478	8	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.9100	0.000	1	109.3834	0.183	7	109.5836	0.478	8	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.2957	0.394	6	109.3834	0.183	7	109.5836	0.478	8	109.8281	0.472	17	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	110.1217	0.833	13	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	110.8613	0.441	3	111.0050	0.212	4	110.1580	0.890	12	110.1217	0.833	13	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	111.4360	0.000	1	111.0050	0.212	4	110.1580	0.890	12	110.1217	0.833	13	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C){1|B<4>,1|H<1>,4|C<3>}	111.6730	0.000	1	111.6730	0.000	1	110.1580	0.890	12	110.1217	0.833	13	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.6720	0.000	1	109.6720	0.000	1	110.1580	0.890	12	110.1217	0.833	13	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N){1|C<4>,4|C<3>,4|H<1>}	109.5640	0.000	1	109.5640	0.000	1	110.1580	0.890	12	110.1217	0.833	13	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.8240	0.000	1	109.6395	0.068	2	110.1580	0.890	12	110.1217	0.833	13	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.4550	0.000	1	109.6395	0.068	2	110.1580	0.890	12	110.1217	0.833	13	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,6|C<3>}	109.2293	0.318	3	109.2293	0.101	3	110.1580	0.890	12	110.1217	0.833	13	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH){2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	109.1295	0.473	2	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH){1|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	109.1295	0.473	2	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	109.9940	0.000	1	109.9940	0.000	1	109.2693	0.384	6	109.2693	0.384	6	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.3680	0.000	1	109.1244	0.323	5	109.2693	0.384	6	109.2693	0.384	6	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	109.0635	0.637	4	109.1244	0.323	5	109.2693	0.384	6	109.2693	0.384	6	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:N[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	108.3880	0.250	4	108.3880	0.062	4	108.3816	0.047	5	108.3816	0.047	5	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:N[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	108.3560	0.000	1	108.3560	0.000	1	108.3816	0.047	5	108.3816	0.047	5	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:2:	3:4:3:	4:3:2:	C[6,6a]-3:C[6,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6]-3:O[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H)	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:4:	3:3:4:	4:3:2:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6,6]-3:O[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC)	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC){1|O<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	111.1950	0.805	2	111.1950	0.648	2	111.1950	0.648	2	111.1950	0.648	2	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:4:	3:4:3:	3:4:4:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|H<1>}	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6]	3:3:4:4:	3:4:3:	4:4:2:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a]){1|C<4>,4|C<3>}	105.0490	0.000	1	105.0490	0.000	1	105.0490	0.000	1	105.0490	0.000	1	110.0739	3.787	63	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O){1|C<4>,1|O<2>,3|C<3>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	115.4380	10.300	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H){1|H<1>,1|N<3>,4|C<3>}	111.0150	0.000	1	111.0150	0.000	1	113.5853	5.354	3	115.4380	10.300	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H){1|C<4>,1|O<2>,4|C<3>}	115.5020	0.000	1	115.5020	0.000	1	113.5853	5.354	3	115.4380	10.300	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	114.2390	0.000	1	114.2390	0.000	1	113.5853	5.354	3	115.4380	10.300	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O){1|N<2>,4|C<3>}	118.8180	0.257	2	118.8180	0.066	2	118.8180	0.066	2	115.4380	10.300	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O){1|H<1>,2|C<4>,4|C<3>}	111.6840	0.000	1	111.6840	0.000	1	113.5100	3.168	3	115.4380	10.300	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<3>,2|C<4>,3|H<1>}	115.2400	0.000	1	114.4230	1.335	2	113.5100	3.168	3	115.4380	10.300	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<4>,2|H<1>,3|C<3>}	113.6060	0.000	1	114.4230	1.335	2	113.5100	3.168	3	115.4380	10.300	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	3:4:2:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]FF){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a]){5|C<3>}	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|C<4>,3|C<3>}	111.1645	0.834	2	112.0019	1.380	7	111.8729	1.316	8	111.8729	1.316	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|H<1>,3|C<3>}	114.3040	0.000	1	112.0019	1.380	7	111.8729	1.316	8	111.8729	1.316	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|H<1>,3|C<3>}	111.8450	0.511	4	112.0019	1.380	7	111.8729	1.316	8	111.8729	1.316	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|H<1>,3|C<3>}	110.9700	0.000	1	110.9700	0.000	1	111.8729	1.316	8	111.8729	1.316	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O){2|C<3>,2|C<4>}	114.7420	0.000	1	114.7420	0.000	1	114.3800	0.104	3	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O){2|C<3>,2|C<4>}	114.1210	0.000	1	114.1210	0.000	1	114.3800	0.104	3	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O){2|C<3>,2|C<4>}	114.2770	0.000	1	114.2770	0.000	1	114.3800	0.104	3	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H){1|C<4>,3|C<3>}	113.4650	0.000	1	113.4650	0.000	1	114.9713	4.422	11	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	115.1380	0.000	1	115.1380	0.000	1	114.9713	4.422	11	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	115.2190	0.000	1	118.0395	15.910	2	114.9713	4.422	11	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.8600	0.000	1	118.0395	15.910	2	114.9713	4.422	11	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	113.5630	0.000	1	114.3937	0.625	4	114.9713	4.422	11	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	114.8090	0.916	2	114.3937	0.625	4	114.9713	4.422	11	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	114.3940	0.000	1	114.3937	0.625	4	114.9713	4.422	11	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	114.1423	0.977	3	114.1423	0.956	3	114.9713	4.422	11	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	113.0670	0.914	4	113.0670	0.835	4	115.5335	4.786	17	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|N<2>,2|C<3>}	114.3590	0.000	1	116.4917	2.024	4	115.5335	4.786	17	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	117.2027	0.061	3	116.4917	2.024	4	115.5335	4.786	17	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	117.1093	0.519	3	117.2082	0.219	4	115.5335	4.786	17	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	117.5050	0.000	1	117.2082	0.219	4	115.5335	4.786	17	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	111.6730	0.000	1	114.3617	9.920	3	115.5335	4.786	17	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	113.5850	0.000	1	114.3617	9.920	3	115.5335	4.786	17	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|O<1>,2|C<3>}	117.8270	0.000	1	114.3617	9.920	3	115.5335	4.786	17	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	116.9585	0.309	2	116.9585	0.095	2	115.5335	4.786	17	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]C)(H){2|C<3>}	110.5610	0.000	1	110.5610	0.000	1	112.3085	6.108	2	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	114.0560	0.000	1	114.0560	0.000	1	112.3085	6.108	2	115.0458	4.610	33	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN){1|H<1>,4|C<3>}	113.7900	0.000	1	113.7900	0.000	1	113.7900	0.000	1	112.9277	1.148	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[5a]O[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5a]O[6])(OH){1|N<2>,1|O<2>,2|C<3>}	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	112.9277	1.148	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS){2|H<1>,4|C<3>}	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	112.9277	1.148	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	115.9758	0.219	4	115.9758	0.048	4	113.5929	9.644	7	113.5929	9.644	7	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI){2|C<3>,2|H<1>}	109.7875	1.535	2	109.7875	2.357	2	113.5929	9.644	7	113.5929	9.644	7	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H){2|C<3>}	111.6720	0.000	1	111.6720	0.000	1	113.5929	9.644	7	113.5929	9.644	7	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){1|C<4>,7|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3){3|C<3>}	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	113.3860	0.000	1	113.3860	0.000	1	113.3860	0.000	1	115.1293	3.082	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O){1|H<1>,1|N<3>,4|C<3>}	116.8970	0.000	1	116.8970	0.000	1	116.8970	0.000	1	115.1293	3.082	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:1:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	115.1050	0.000	1	115.1050	0.000	1	115.1050	0.000	1	115.1293	3.082	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(O){2|C<3>,2|H<1>}	108.7435	0.129	2	108.7435	0.017	2	108.7435	0.017	2	108.7435	0.017	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS)	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	113.0835	0.815	2	113.0835	0.665	2	113.0835	0.665	2	113.0835	0.665	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,5|C<3>}	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO){2|C<3>}	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	110.5187	1.862	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C){2|C<3>}	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	110.5187	1.862	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO){2|C<3>}	111.2780	0.000	1	111.0675	0.089	2	111.0675	0.089	2	110.5187	1.862	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO){2|C<3>}	110.8570	0.000	1	111.0675	0.089	2	111.0675	0.089	2	110.5187	1.862	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:1:	3:3:4:	4:4:3:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:2:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]OO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]OO)(O){1|O<1>,4|C<3>}	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<3>}	113.3960	0.233	4	113.3960	0.054	4	113.3960	0.054	4	114.1630	2.484	7	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO)	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	116.1650	1.870	2	116.1650	3.495	2	116.1650	3.495	2	114.1630	2.484	7	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO)	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	114.1630	2.484	7	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:2:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-2:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2){3|C<3>}	107.2790	0.000	1	107.2790	0.000	1	107.2790	0.000	1	107.2790	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:2:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:O-2:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	114.5080	0.000	1	114.5080	0.000	1	114.5080	0.000	1	114.5080	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O){1|C<4>,2|C<3>}	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.3267	2.749	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O){1|C<4>,2|C<3>}	109.5730	0.000	1	109.5730	0.000	1	109.5730	0.000	1	108.3267	2.749	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:N-3:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN)	C[6](C[6]C[6,6a]FN)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6a]FN)(O[6]C[6])(O){2|C<3>,2|H<1>}	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	108.3267	2.749	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|O<2>,3|C<3>}	109.3130	0.000	1	109.3130	0.000	1	111.4990	9.557	2	112.2971	13.209	12	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	113.6850	0.000	1	113.6850	0.000	1	111.4990	9.557	2	112.2971	13.209	12	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6a]O[6])(H){4|C<3>}	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	112.2971	13.209	12	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.3095	0.629	2	119.3095	0.395	2	119.3095	0.395	2	112.2971	13.209	12	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	112.6870	0.187	2	112.6870	0.035	2	112.5197	0.101	3	112.2971	13.209	12	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6]C[6,6a]HN)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[5,6]H)(H){4|C<3>}	112.1850	0.000	1	112.1850	0.000	1	112.5197	0.101	3	112.2971	13.209	12	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	109.8257	0.458	4	109.8257	0.209	4	109.8257	0.209	4	112.2971	13.209	12	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	109.4050	0.198	2	109.4050	0.039	2	109.4050	0.039	2	109.5922	0.216	11	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	110.3110	0.000	1	110.3110	0.000	1	110.4055	0.018	2	109.5922	0.216	11	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,5|C<3>}	110.5000	0.000	1	110.5000	0.000	1	110.4055	0.018	2	109.5922	0.216	11	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	109.4133	0.286	7	109.4133	0.082	7	109.4133	0.082	7	109.5922	0.216	11	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	109.6660	0.000	1	109.6660	0.000	1	109.7850	0.028	2	109.8421	0.544	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|O<1>,1|O<2>,3|N<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH){2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	109.9040	0.000	1	109.9040	0.000	1	109.7850	0.028	2	109.8421	0.544	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	109.1905	0.442	2	109.8584	0.719	7	109.8584	0.719	7	109.8421	0.544	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	109.3310	0.000	1	109.8584	0.719	7	109.8584	0.719	7	109.8421	0.544	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	110.3243	0.832	4	109.8584	0.719	7	109.8584	0.719	7	109.8421	0.544	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:3:4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO){2|C<3>}	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:3:4:	4:4:2:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC){2|C<3>}	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]ClC)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]ClC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	116.4130	0.000	1	116.4130	0.000	1	116.4130	0.000	1	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	109.2800	0.000	1	109.2800	0.000	1	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H){1|S<2>,5|C<3>}	108.0060	0.000	1	108.0060	0.000	1	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	108.8300	0.000	1	108.8300	0.000	1	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	110.7040	0.560	6	110.7040	0.313	6	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	112.2233	0.320	6	112.2233	0.103	6	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H){4|C<3>}	108.8100	0.000	1	108.8100	0.000	1	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	110.0550	0.000	1	110.0550	0.000	1	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	109.8420	0.000	1	109.8420	0.000	1	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	108.8500	0.000	1	108.8500	0.000	1	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	108.8660	0.181	2	108.8660	0.033	2	110.4271	2.106	21	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	113.3622	0.481	6	113.4275	0.197	8	113.4275	0.197	8	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>,3|C<3>}	113.6235	0.339	2	113.4275	0.197	8	113.4275	0.197	8	111.4267	4.185	30	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN){4|C<3>}	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5,6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<2>,1|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.8100	0.000	1	109.1395	0.073	8	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	109.4190	0.256	2	109.1395	0.073	8	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	109.1517	0.270	3	109.1395	0.073	8	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	109.0065	0.008	2	109.1395	0.073	8	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	107.8612	0.338	4	107.8612	0.114	4	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	109.2270	0.000	1	109.0096	0.212	5	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.2090	0.000	1	109.0096	0.212	5	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	109.2530	0.184	2	109.0096	0.212	5	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	109.1060	0.000	1	109.0096	0.212	5	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.0450	0.000	1	108.0450	0.000	1	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	107.7790	0.000	1	107.7790	0.000	1	108.7070	0.434	19	108.8575	0.733	21	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|S<2>,5|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<4>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO){1|C<4>,1|H<1>,5|C<3>}	110.1160	0.000	1	110.1160	0.000	1	110.1160	0.000	1	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO){5|C<3>}	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.6410	0.000	1	110.6410	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	110.7560	0.000	1	110.2758	0.270	9	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	110.2990	0.617	5	110.2758	0.270	9	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	109.8900	0.274	2	110.2758	0.270	9	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	110.4510	0.000	1	110.2758	0.270	9	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	109.0118	0.253	4	109.0118	0.064	4	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC){5|C<3>}	112.1420	0.000	1	112.1420	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO){5|C<3>}	111.4150	0.000	1	111.4150	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO){1|S<4>,6|C<3>}	107.9460	0.000	1	107.9460	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|C<4>,4|C<3>}	110.5790	0.000	1	110.5790	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	110.8857	0.534	6	110.8857	0.285	6	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO){4|C<3>}	109.4410	0.000	1	109.4410	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O){4|C<3>}	109.3880	0.000	1	109.3880	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	110.1800	0.000	1	110.1800	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	110.5460	0.000	1	109.0040	4.756	2	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	107.4620	0.000	1	109.0040	4.756	2	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS){6|C<3>}	109.7580	0.000	1	109.7580	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O){4|C<3>}	109.4460	0.000	1	109.4460	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O){5|C<3>}	110.7040	0.000	1	110.7040	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO){5|C<3>}	110.7680	0.000	1	110.7680	0.000	1	110.1291	1.031	33	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	108.8487	0.069	3	108.7030	0.088	4	109.1198	0.617	6	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	108.2660	0.000	1	108.7030	0.088	4	109.1198	0.617	6	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	109.3470	0.000	1	109.9535	0.736	2	109.1198	0.617	6	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	110.5600	0.000	1	109.9535	0.736	2	109.1198	0.617	6	109.9836	1.058	42	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO){4|C<3>}	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	3:4:1:	C[6,6a]-3:C[5a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O){1|H<1>,1|S<2>,5|C<3>}	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){1|O<2>,5|C<3>}	110.8185	0.456	2	110.8185	0.208	2	111.7498	1.576	4	111.7498	1.576	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){1|O<2>,5|C<3>}	112.6810	1.025	2	112.6810	1.051	2	111.7498	1.576	4	111.7498	1.576	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a]){6|C<3>}	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2{2|C<4>,2|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]2C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O){1|H<1>,8|C<3>}	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O){1|H<1>,7|C<3>}	106.7880	0.000	1	106.7880	0.000	1	108.7105	7.392	2	108.7105	7.392	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O)	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O){1|C<4>,1|H<1>,6|C<3>}	110.6330	0.000	1	110.6330	0.000	1	108.7105	7.392	2	108.7105	7.392	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O){1|S<4>,5|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O){7|C<3>}	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N){1|C<4>,1|N<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a]){1|O<2>,7|C<3>}	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	109.0405	0.025	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:2:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[5a,6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a]){1|O<1>,2|N<3>,6|C<3>}	108.9290	0.000	1	108.9290	0.000	1	108.9290	0.000	1	109.0405	0.025	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:3:	3:4:3:	4:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-4:C[3]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2{1|N<3>,2|C<4>,6|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2){1|H<1>,4|C<4>,6|C<3>}	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C){1|C<4>,1|O<1>,9|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O){7|C<3>}	105.7780	0.000	1	105.7780	0.000	1	105.7780	0.000	1	105.7780	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:3:4:	3:4:3:	C[6,6a]-3:C[6]-3:O-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC[6a]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC[6a]Al){1|H<1>,4|C<3>}	103.4490	0.000	1	103.4490	0.000	1	103.4490	0.000	1	103.4490	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	113.6190	0.338	2	113.6190	0.114	2	113.6190	0.114	2	111.2488	7.798	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	109.5140	0.000	1	108.8785	0.808	2	108.8785	0.808	2	111.2488	7.798	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	108.2430	0.000	1	108.8785	0.808	2	108.8785	0.808	2	111.2488	7.798	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:4:2:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a])	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O){1|N<2>,4|C<3>}	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O){1|H<1>,6|C<3>}	113.9540	0.000	1	113.9540	0.000	1	113.9540	0.000	1	113.9540	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[6,6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O){2|C<4>,3|H<1>,4|C<3>}	111.3010	0.000	1	111.3010	0.000	1	111.3010	0.000	1	111.2047	9.343	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	111.2047	9.343	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O){1|O<1>,4|C<3>}	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	111.2047	9.343	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:3:4:	3:4:3:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N[6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a]){1|O<1>,4|C<3>}	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	113.1850	0.000	1	113.1850	0.000	1	113.1850	0.000	1	113.2400	0.006	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HS)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HS)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	113.2400	0.006	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(N[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CH)(N[6]C[6])(O){1|O<1>,2|C<3>}	114.9160	0.000	1	114.9160	0.000	1	114.9160	0.000	1	112.3967	5.478	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	111.9840	0.000	1	111.9840	0.000	1	111.1370	1.435	2	112.3967	5.478	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	110.2900	0.000	1	110.2900	0.000	1	111.1370	1.435	2	112.3967	5.478	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O){2|C<3>,2|C<4>}	112.0785	0.551	2	112.0785	0.303	2	112.0785	0.303	2	111.8280	0.590	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H){4|C<3>}	111.1870	0.000	1	111.1870	0.000	1	112.0555	0.482	8	111.8280	0.590	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	111.8583	0.737	3	111.8583	0.543	3	112.0555	0.482	8	111.8280	0.590	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	112.4115	0.029	2	112.4115	0.001	2	112.0555	0.482	8	111.8280	0.590	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	113.0940	0.000	1	113.0940	0.000	1	112.0555	0.482	8	111.8280	0.590	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	111.7650	0.000	1	111.7650	0.000	1	112.0555	0.482	8	111.8280	0.590	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O){2|H<1>,4|C<3>}	110.7795	0.810	2	110.7795	0.656	2	110.7795	0.656	2	111.8280	0.590	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|N<3>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O){1|H<1>,2|C<3>}	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	111.8280	0.590	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	112.2500	0.000	1	112.2500	0.000	1	112.2500	0.000	1	111.8280	0.590	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	110.2400	0.000	1	109.7425	0.495	2	109.6428	0.263	4	109.8912	0.306	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Br<1>,1|C<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	109.2450	0.000	1	109.7425	0.495	2	109.6428	0.263	4	109.8912	0.306	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	109.5430	0.505	2	109.5430	0.255	2	109.6428	0.263	4	109.8912	0.306	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	110.3880	0.000	2	110.3880	0.000	2	110.3880	0.000	2	109.8912	0.306	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	110.7350	0.000	1	110.5840	0.016	4	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	110.5450	0.000	1	110.5840	0.016	4	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	110.6190	0.000	1	110.5840	0.016	4	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	110.4370	0.000	1	110.5840	0.016	4	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O){1|H<1>,4|C<3>}	108.8540	0.000	1	108.8540	0.000	1	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	109.5930	0.000	1	109.5930	0.000	1	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O){2|C<3>}	110.5590	0.000	1	110.5590	0.000	1	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO){2|C<3>}	109.3230	0.000	1	109.3230	0.000	1	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO){2|C<3>}	108.6610	0.000	1	108.6610	0.000	1	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	108.9260	0.300	2	108.9260	0.090	2	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	111.3440	0.000	1	111.3440	0.000	1	109.8768	0.861	12	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO){2|C<3>}	110.0980	0.000	1	110.5355	0.383	2	110.5355	0.383	2	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Cl<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO){2|C<3>}	110.9730	0.000	1	110.5355	0.383	2	110.5355	0.383	2	109.9709	0.816	14	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	114.1470	0.000	1	114.1470	0.000	1	113.8432	0.158	4	113.8432	0.158	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O){3|C<3>}	113.7420	0.420	3	113.7420	0.176	3	113.8432	0.158	4	113.8432	0.158	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:1:	3:3:4:	4:4:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO){2|C<3>,2|H<1>}	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){5|C<3>}	106.9650	0.000	1	106.9650	0.000	1	109.3668	2.274	5	110.4323	8.631	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){1|H<1>,4|C<3>}	110.5405	0.555	2	110.5405	0.308	2	109.3668	2.274	5	110.4323	8.631	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){1|H<1>,4|C<3>}	109.7550	0.000	1	109.7550	0.000	1	109.3668	2.274	5	110.4323	8.631	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){1|H<1>,4|C<3>}	109.0330	0.000	1	109.0330	0.000	1	109.3668	2.274	5	110.4323	8.631	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	115.7600	0.000	1	115.7600	0.000	1	115.7600	0.000	1	110.4323	8.631	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O){2|C<3>,2|H<1>}	113.3730	0.000	1	113.3730	0.000	1	110.5002	3.814	4	110.5002	3.814	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O){2|C<3>,2|H<1>}	109.5427	0.468	3	109.5427	0.219	3	110.5002	3.814	4	110.5002	3.814	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|C<4>,2|C<3>}	111.8530	0.000	1	112.6347	0.599	3	112.6347	0.599	3	111.9222	1.073	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	113.0255	0.530	2	112.6347	0.599	3	112.6347	0.599	3	111.9222	1.073	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	110.7440	0.960	2	110.7440	0.922	2	111.5660	1.020	6	111.9222	1.073	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	112.3195	0.605	2	112.3195	0.366	2	111.5660	1.020	6	111.9222	1.073	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	111.6345	1.148	2	111.6345	1.317	2	111.5660	1.020	6	111.9222	1.073	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH)	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O){2|C<4>,3|C<3>}	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	114.2140	0.092	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:2:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	114.2140	0.092	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	113.9260	1.084	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	114.9490	0.000	1	114.9490	0.000	1	114.4373	0.420	3	113.9260	1.084	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	114.1815	0.668	2	114.1815	0.447	2	114.4373	0.420	3	113.9260	1.084	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	114.1195	0.175	2	114.1195	0.031	2	114.1195	0.031	2	113.9260	1.084	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:3:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	107.8240	0.000	1	107.7820	0.004	2	107.7820	0.004	2	107.7820	0.004	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:3:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	107.7400	0.000	1	107.7820	0.004	2	107.7820	0.004	2	107.7820	0.004	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:2:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O){1|N<2>,2|C<3>}	114.2180	0.837	2	114.2180	0.701	2	114.2180	0.701	2	114.2180	0.701	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	115.0885	0.173	2	114.7275	0.494	6	114.3204	1.684	9	114.3204	1.684	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	114.5470	0.827	4	114.7275	0.494	6	114.3204	1.684	9	114.3204	1.684	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	113.7550	0.000	1	113.7550	0.000	1	114.3204	1.684	9	114.3204	1.684	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	111.3910	0.000	1	111.3910	0.000	1	114.3204	1.684	9	114.3204	1.684	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	115.3730	0.000	1	115.3730	0.000	1	114.3204	1.684	9	114.3204	1.684	9	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,5|H<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6])(H){2|C<3>,2|H<1>}	110.5630	0.000	1	110.5630	0.000	1	110.5630	0.000	1	111.6445	2.339	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(O[6]C[6])(O){2|C<3>,2|H<1>}	112.7260	0.000	1	112.7260	0.000	1	112.7260	0.000	1	111.6445	2.339	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:2:2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NH){1|N<3>,2|C<3>}	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:2:3:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH){1|N<2>,2|C<3>}	110.4695	0.146	2	110.4695	0.021	2	110.4695	0.021	2	110.4695	0.021	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	111.4330	0.000	1	111.4330	0.000	1	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	108.2200	0.475	2	108.2200	0.226	2	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H){1|O<1>,1|P<4>,4|C<3>}	115.6300	0.757	2	115.6300	0.572	2	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){3|C<3>}	115.0935	0.448	2	114.3477	2.463	6	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){1|Pd<4>,3|C<3>}	112.2620	0.000	1	114.3477	2.463	6	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pt<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){1|Pt<4>,3|C<3>}	114.5457	1.807	3	114.3477	2.463	6	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H){1|O<1>,3|C<3>}	115.8810	0.000	1	115.8810	0.000	1	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|O<1>,3|C<3>}	115.7880	0.000	1	113.4543	8.264	4	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|Pd<4>,3|C<3>}	110.9670	0.000	1	113.4543	8.264	4	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pt<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|Pt<4>,3|C<3>}	113.5310	3.626	2	113.4543	8.264	4	113.4323	7.795	16	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	114.8600	0.000	1	114.8600	0.000	1	114.9320	0.010	2	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O){1|H<1>,4|C<3>}	115.0040	0.000	1	115.0040	0.000	1	114.9320	0.010	2	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	114.2270	0.000	1	114.2270	0.000	1	112.8662	3.092	11	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	113.6070	0.000	1	113.5110	0.279	4	112.8662	3.092	11	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	114.2170	0.000	1	113.5110	0.279	4	112.8662	3.092	11	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	113.1100	0.083	2	113.5110	0.279	4	112.8662	3.092	11	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O){3|C<3>}	108.3930	0.000	1	108.3930	0.000	1	112.8662	3.092	11	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	112.6047	1.124	4	112.6047	1.263	4	112.8662	3.092	11	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	114.4450	0.000	1	114.4450	0.000	1	112.8662	3.092	11	113.3210	5.554	29	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]O[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]H)(OC){2|C<3>}	106.8610	0.000	1	106.8610	0.000	1	109.7135	16.274	2	109.7135	16.274	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	112.5660	0.000	1	112.5660	0.000	1	109.7135	16.274	2	109.7135	16.274	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	111.8872	1.288	5	111.8872	1.659	5	112.1845	1.858	6	112.1845	1.858	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	113.6710	0.000	1	113.6710	0.000	1	112.1845	1.858	6	112.1845	1.858	6	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:4:4:	3:4:2:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[4,6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a])	C[6](C[4,6]C[4,6]2H)(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6,6a]CC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.8965	0.356	2	110.8965	0.127	2	110.8965	0.127	2	110.8965	0.127	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H){1|H<1>,7|C<3>}	114.4225	0.117	2	114.4225	0.014	2	114.4225	0.014	2	114.4225	0.014	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	4:2:2:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:S-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6])(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6])(SC){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	105.3080	0.000	1	105.3080	0.000	1	105.3080	0.000	1	105.3080	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H){2|H<1>,3|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	108.0590	0.000	1	108.0590	0.000	1	109.3792	1.900	5	110.2139	4.139	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<4>,5|C<3>}	110.6940	0.000	1	110.6940	0.000	1	109.3792	1.900	5	110.2139	4.139	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,5|C<3>}	109.2930	0.000	1	109.2930	0.000	1	109.3792	1.900	5	110.2139	4.139	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	107.9900	0.000	1	107.9900	0.000	1	109.3792	1.900	5	110.2139	4.139	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	110.8600	0.000	1	110.8600	0.000	1	109.3792	1.900	5	110.2139	4.139	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<2>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(O){2|H<1>,4|C<3>}	113.0165	0.356	2	113.0165	0.127	2	113.0165	0.127	2	110.2139	4.139	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	110.2139	4.139	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:3:4:	4:3:4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3){1|H<1>,5|C<3>}	113.9505	0.242	4	113.9505	0.059	4	113.9505	0.059	4	113.9505	0.059	4	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,4|C<3>}	109.5860	0.000	1	109.3063	0.127	4	109.2399	0.106	8	109.2399	0.106	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,4|C<3>}	109.2610	0.512	2	109.3063	0.127	4	109.2399	0.106	8	109.2399	0.106	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,4|C<3>}	109.1170	0.000	1	109.3063	0.127	4	109.2399	0.106	8	109.2399	0.106	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|C<4>,1|O<2>,3|C<3>}	109.3190	0.000	1	109.0650	0.129	2	109.2399	0.106	8	109.2399	0.106	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|C<4>,1|O<2>,3|C<3>}	108.8110	0.000	1	109.0650	0.129	2	109.2399	0.106	8	109.2399	0.106	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,1|O<2>,3|C<3>}	109.5550	0.000	1	109.2820	0.149	2	109.2399	0.106	8	109.2399	0.106	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,1|O<2>,3|C<3>}	109.0090	0.000	1	109.2820	0.149	2	109.2399	0.106	8	109.2399	0.106	8	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:2:	3:3:4:	4:2:3:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.3670	0.000	1	111.6540	0.640	3	111.6540	0.640	3	111.6540	0.640	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:2:	3:3:4:	4:2:3:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.7975	1.076	2	111.6540	0.640	3	111.6540	0.640	3	111.6540	0.640	3	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:3:	3:3:4:	4:3:2:	C[6,6a]-3:C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC){1|C<4>,2|H<1>,4|C<3>}	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:4:	3:4:3:	4:3:1:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.4650	0.000	1	111.4650	0.000	1	112.4990	2.138	2	112.4990	2.138	2	111.6368	7.228	399	108.7795	13.304	984
466	643	762	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6]	3:4:3:4:	3:4:3:	4:3:1:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	113.5330	0.000	1	113.5330	0.000	1	112.4990	2.138	2	112.4990	2.138	2	111.6368	7.228	399	108.7795	13.304	984