643	217	880	0:SP2_SP2_SP3	C[6a]	N[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:N[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(SiC3)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si)	Si(C[6a]C[6a]N[6a])(CCCH)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(SiC3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si){1|N<2>,2|H<1>,4|C<3>}	Si(C[6a]C[6a]N[6a])(CCCH)3	123.2750	0.000	1	123.2750	0.000	1	123.2750	0.000	1	123.2750	0.000	1	123.2750	0.000	1	123.2750	0.000	1
643	217	887	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:3:3:	3:3:1:	3:4:1:	N[6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	S(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|H<1>,4|C<3>}	S(C[6a]C[6a]N[6a])(CH3)(O)	110.7290	0.000	1	110.4665	0.138	2	110.4665	0.138	2	110.4665	0.138	2	110.4665	0.138	2	110.4665	0.138	2
643	217	887	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:3:3:	3:3:1:	3:4:1:	N[6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	S(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	S(C[6a]C[6a]N[6a])(CH3)(O)	110.2040	0.000	1	110.4665	0.138	2	110.4665	0.138	2	110.4665	0.138	2	110.4665	0.138	2	110.4665	0.138	2
643	217	892	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)3	120.7830	0.255	2	120.7830	0.065	2	120.7830	0.065	2	120.7830	0.065	2	120.7830	0.065	2	120.7830	0.065	2
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]N[6a]2)(CH3)	111.7240	0.000	1	111.7240	0.000	1	112.6590	0.656	3	112.6590	0.656	3	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:1:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)(CH3)	113.1265	0.028	2	113.1265	0.001	2	112.6590	0.656	3	112.6590	0.656	3	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	112.0750	0.000	1	112.0750	0.000	1	111.5543	0.509	15	111.5543	0.509	15	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	111.1150	0.000	1	111.4511	0.623	9	111.5543	0.509	15	111.5543	0.509	15	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	111.9270	0.000	1	111.4511	0.623	9	111.5543	0.509	15	111.5543	0.509	15	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	113.1820	0.000	1	111.4511	0.623	9	111.5543	0.509	15	111.5543	0.509	15	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	111.1882	0.583	4	111.4511	0.623	9	111.5543	0.509	15	111.5543	0.509	15	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	110.9450	0.000	1	111.4511	0.623	9	111.5543	0.509	15	111.5543	0.509	15	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	111.1380	0.000	1	111.4511	0.623	9	111.5543	0.509	15	111.5543	0.509	15	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	111.6358	0.659	5	111.6358	0.434	5	111.5543	0.509	15	111.5543	0.509	15	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]N[6a]2)(CCHH)	111.1540	0.000	1	111.9300	1.204	2	111.9300	1.204	2	111.9300	1.204	2	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]N[6a]2)(CCHH)	112.7060	0.000	1	111.9300	1.204	2	111.9300	1.204	2	111.9300	1.204	2	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	112.5510	1.125	3	112.1878	0.676	6	112.0573	0.682	7	112.0573	0.682	7	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	111.8975	0.156	2	112.1878	0.676	6	112.0573	0.682	7	112.0573	0.682	7	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	111.6790	0.000	1	112.1878	0.676	6	112.0573	0.682	7	112.0573	0.682	7	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|O<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	111.2740	0.000	1	111.2740	0.000	1	112.0573	0.682	7	112.0573	0.682	7	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	O(C[6a]N[6a]2)(CCHH)	113.4950	0.000	1	113.4950	0.000	1	112.4915	0.434	6	112.4915	0.434	6	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)(CH3)	112.5120	0.000	1	112.5120	0.000	1	112.4915	0.434	6	112.4915	0.434	6	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)(CCHH)	111.4680	0.000	1	111.4680	0.000	1	112.4915	0.434	6	112.4915	0.434	6	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)(CH3)	112.6330	0.000	1	112.6330	0.000	1	112.4915	0.434	6	112.4915	0.434	6	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	O(C[6a]N[6a]2)(CH3)	112.4205	0.289	2	112.4205	0.084	2	112.4915	0.434	6	112.4915	0.434	6	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	O(C[6a]N[6a]2)(CH3)	113.6140	0.000	1	113.2870	0.214	2	112.8690	1.132	4	112.8690	1.132	4	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)(CH3)	112.9600	0.000	1	113.2870	0.214	2	112.8690	1.132	4	112.8690	1.132	4	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]N[6a]2)(CCHH)	113.5650	0.000	1	112.4510	2.482	2	112.8690	1.132	4	112.8690	1.132	4	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(CCHH)	111.3370	0.000	1	112.4510	2.482	2	112.8690	1.132	4	112.8690	1.132	4	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(CH3)	112.7060	0.000	1	112.7260	0.004	3	113.2861	0.396	7	113.2861	0.396	7	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)(CH3)	112.7980	0.000	1	112.7260	0.004	3	113.2861	0.396	7	113.2861	0.396	7	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){2|C<3>}	O(C[6a]N[6a]2)(CH3)	112.6740	0.000	1	112.7260	0.004	3	113.2861	0.396	7	113.2861	0.396	7	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2(CH3)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>}	O(C[6a]N[6a]2)(CH3)	113.7063	0.490	4	113.7063	0.240	4	113.2861	0.396	7	113.2861	0.396	7	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a]){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])(H)	111.7290	0.000	1	111.7290	0.000	1	113.1643	1.679	3	113.1643	1.679	3	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH)	N[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	113.8820	0.518	2	113.8820	0.268	2	113.1643	1.679	3	113.1643	1.679	3	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])(CCHH)	118.0155	0.320	2	118.0155	0.103	2	116.8778	8.405	5	116.8778	8.405	5	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCCH)	118.2150	1.689	2	118.2150	2.851	2	116.8778	8.405	5	116.8778	8.405	5	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	111.9280	0.000	1	111.9280	0.000	1	116.8778	8.405	5	116.8778	8.405	5	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH){1|C<3>,2|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])(H)	117.9200	0.000	1	117.9200	0.000	1	115.9465	7.789	2	115.9465	7.789	2	112.8785	3.722	55	112.8785	3.722	55
643	217	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(H)	113.9730	0.000	1	113.9730	0.000	1	115.9465	7.789	2	115.9465	7.789	2	112.8785	3.722	55	112.8785	3.722	55
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	S	3:2:2:	3:3:3:	3:4:	N[6a,6a]-3:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a,6a]N[6a])(CH3)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>,2|H<1>}	S(C[6a]N[6a,6a]N[6a])(CH3)	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:1:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	S(C[6a]N[6a]2)(CH3)	113.2710	0.223	2	113.2710	0.050	2	113.5404	0.545	7	113.5404	0.545	7	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:1:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	S(C[6a]N[6a]2)(CH3)	114.0242	0.252	4	114.0242	0.063	4	113.5404	0.545	7	113.5404	0.545	7	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:1:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	S(C[6a]N[6a]2)(CH3)	112.1440	0.000	1	112.1440	0.000	1	113.5404	0.545	7	113.5404	0.545	7	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:1:	6:3:	S-2:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H)	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H){1|C<3>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	114.8550	0.235	3	114.8550	0.055	3	114.8550	0.055	3	114.8550	0.055	3	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	S(C[6a]N[6a]2)(CH3)	115.5483	0.823	3	115.5483	0.677	3	115.5899	0.314	15	115.8912	1.745	16	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH){2|C<3>}	S(C[6a]N[6a]2)(CH3)	115.6510	0.054	2	115.6510	0.003	2	115.5899	0.314	15	115.8912	1.745	16	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	S(C[6a]N[6a]2)(CH3)	115.4889	0.564	8	115.4889	0.318	8	115.5899	0.314	15	115.8912	1.745	16	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	S(C[6a]N[6a]2)(CH3)	116.4330	0.000	1	116.4330	0.000	1	115.5899	0.314	15	115.8912	1.745	16	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	S(C[6a]N[6a]2)(CCHH)	115.5570	0.000	1	115.5570	0.000	1	115.5899	0.314	15	115.8912	1.745	16	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:4:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO){2|C<3>}	S(C[6a]N[6a]2)(CH3)	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	115.8912	1.745	16	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	S(C[6a]N[6a]2)(CCHH)	113.4330	0.000	1	113.7930	0.922	4	114.0753	1.026	6	114.2793	1.146	7	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	S(C[6a]N[6a]2)(CCHH)	113.6800	1.506	2	113.7930	0.922	4	114.0753	1.026	6	114.2793	1.146	7	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	S(C[6a]N[6a]2)(CCHH)	114.3790	0.000	1	113.7930	0.922	4	114.0753	1.026	6	114.2793	1.146	7	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	S(C[6a]N[6a]2)(CC[6a]HH)	115.4780	0.000	1	115.4780	0.000	1	114.0753	1.026	6	114.2793	1.146	7	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	113.8020	0.000	1	113.8020	0.000	1	114.0753	1.026	6	114.2793	1.146	7	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:1:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)(C[5]C[5]2H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5]){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(C[5]C[5]2H)	115.5030	0.000	1	115.5030	0.000	1	115.5030	0.000	1	114.2793	1.146	7	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:2:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC){1|C<4>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH){1|C<4>,1|N<2>}	S(C[6a]N[6a]2)(CCHH)	114.6555	0.288	2	114.6555	0.083	2	115.1755	0.392	4	115.1755	0.392	4	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH){1|C<4>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	115.6955	0.103	2	115.6955	0.011	2	115.1755	0.392	4	115.1755	0.392	4	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	116.0910	0.000	1	116.0323	0.067	3	115.5415	0.308	8	115.5415	0.308	8	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	116.0030	0.358	2	116.0323	0.067	3	115.5415	0.308	8	115.5415	0.308	8	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	115.3510	0.000	1	115.4087	0.114	4	115.5415	0.308	8	115.5415	0.308	8	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	S(C[6a]N[6a]2)(CH3)	115.8890	0.000	1	115.4087	0.114	4	115.5415	0.308	8	115.5415	0.308	8	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	115.2950	0.000	1	115.4087	0.114	4	115.5415	0.308	8	115.5415	0.308	8	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	S(C[6a]N[6a]2)(CH3)	115.1000	0.000	1	115.4087	0.114	4	115.5415	0.308	8	115.5415	0.308	8	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<4>,1|N<2>}	S(C[6a]N[6a]2)(CCHH)	114.6000	0.000	1	114.6000	0.000	1	115.5415	0.308	8	115.5415	0.308	8	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	4:3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	S(C[6a]N[6a]2)(CCHH)	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(SC[6a]){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.9115	1.965	2	116.9115	3.861	2	116.9115	3.861	2	116.9115	3.861	2	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:3:2:	3:3:1:	3:4:	N[6a]-3:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(SC[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(SC[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S){3|C<3>,3|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.3360	0.000	1	115.3360	0.000	1	115.3360	0.000	1	115.3360	0.000	1	115.2432	1.750	53	115.3146	1.992	54
643	217	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:3:2:	3:3:3:	3:4:	N[6a]-3:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC){1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,6|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	116.1630	0.000	1	116.1630	0.000	1	116.1630	0.000	1	116.1630	0.000	1	115.2432	1.750	53	115.3146	1.992	54
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:1:	3:3:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H){3|C<3>}	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){1|H<1>,3|C<3>}	121.1467	0.452	3	121.1467	0.204	3	121.1467	0.204	3	121.1467	0.204	3	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	115.5720	0.048	2	115.5720	0.002	2	115.5720	0.002	2	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6])	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]){1|C<4>,1|S<2>,4|C<3>}	116.4900	0.000	2	116.4900	0.000	2	116.4900	0.000	2	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a]){2|C<4>,5|C<3>}	115.3460	0.000	1	115.3460	0.000	1	115.4653	0.064	3	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a]){3|C<4>,4|C<3>}	115.5250	0.327	2	115.5250	0.107	2	115.4653	0.064	3	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){2|O<1>,4|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	115.7030	0.000	1	115.7030	0.000	1	115.7550	1.907	7	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|C<2>,1|C<4>,3|C<3>}	114.3620	0.000	1	114.3620	0.000	1	115.7550	1.907	7	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){2|C<4>,5|C<3>}	117.1890	0.000	1	117.1890	0.000	1	115.7550	1.907	7	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H){2|C<4>,3|C<3>}	114.1960	0.000	1	114.1960	0.000	1	115.7550	1.907	7	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>,2|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S){1|H<1>,2|C<3>,2|C<4>}	114.6290	0.000	1	114.6290	0.000	1	115.7550	1.907	7	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>}	117.3360	0.000	1	117.3360	0.000	1	115.7550	1.907	7	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8700	0.000	1	116.8700	0.000	1	115.7550	1.907	7	115.7718	0.997	14	116.7203	5.297	17	116.7203	5.297	17
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6,6a]	N[6]	3:2:2:	3:3:3:	3:3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2)	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2){1|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N){1|H<1>,3|C<3>}	120.3990	0.000	1	119.7860	0.752	2	119.7860	0.752	2	119.7860	0.752	2	119.7860	0.752	2	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6,6a]	N[6]	3:2:2:	3:3:3:	3:3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2)	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2){1|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N){3|C<3>}	119.1730	0.000	1	119.7860	0.752	2	119.7860	0.752	2	119.7860	0.752	2	119.7860	0.752	2	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a,6a]	N[6]	3:2:2:	3:3:3:	3:3:	N[6,6a,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|N<2>}	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){1|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){3|C<3>}	120.0337	0.551	3	120.0337	0.303	3	120.0337	0.303	3	120.0337	0.303	3	121.5188	2.894	6	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){1|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){1|H<1>,3|C<3>}	123.0040	0.562	3	123.0040	0.315	3	123.0040	0.315	3	123.0040	0.315	3	121.5188	2.894	6	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	123.5225	3.956	11	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:2:	3:3:3:	3:2:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6])	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]){1|H<1>,4|C<3>}	120.0870	0.000	2	120.0870	0.000	2	120.0870	0.000	2	120.0870	0.000	2	123.5225	3.956	11	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6])	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O)	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6,6a]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6,6a]N){5|C<3>}	124.4015	0.062	2	124.4015	0.004	2	124.4015	0.004	2	124.4702	1.180	8	123.5225	3.956	11	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a])	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N)	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]){1|H<1>,1|N<3>,6|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N){1|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	123.3540	0.000	1	123.3540	0.000	1	123.3540	0.000	1	124.4702	1.180	8	123.5225	3.956	11	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	124.4702	1.180	8	123.5225	3.956	11	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	122.8860	0.000	1	122.8860	0.000	1	122.8860	0.000	1	124.4702	1.180	8	123.5225	3.956	11	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|Ge<3>,2|H<1>,4|C<3>}	125.7030	0.505	2	125.7030	0.255	2	125.6047	0.156	3	124.4702	1.180	8	123.5225	3.956	11	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|C<3>,2|H<1>,2|N<3>}	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|Ge<3>,2|H<1>,4|C<3>}	125.4080	0.000	1	125.4080	0.000	1	125.6047	0.156	3	124.4702	1.180	8	123.5225	3.956	11	122.2947	5.382	20
643	217	914	6:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a]H)(N[6]C[5a,6])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a]H)(N[6]C[5a,6]){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	118.4610	0.000	1	118.4610	0.000	1	118.4610	0.000	1	118.4610	0.000	1	118.4610	0.000	1	122.2947	5.382	20
643	217	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:3:	3:2:	N[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2)	Se(C[6a]N[6a]2)(SeC[6a])	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	Se(C[6a]N[6a]2)(SeC[6a])	121.8520	0.450	2	121.8520	0.202	2	121.8520	0.202	2	121.8520	0.202	2	121.8520	0.202	2	121.8520	0.202	2
643	217	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Br)	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Br){1|O<2>,2|O<1>}	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	114.3010	1.008	2	114.3010	1.017	2	114.3010	1.017	2	114.3010	1.017	2	114.3010	1.017	2	114.3010	1.017	2
643	217	927	6:SP2_SP2_SP2	C[6a]	N[6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	B[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){3|C<4>,4|C<3>}	B[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H){3|C<4>,4|C<3>}	122.6680	0.508	2	122.6680	0.258	2	122.6680	0.258	2	122.6680	0.258	2	122.5203	0.194	3	122.5203	0.194	3
643	217	927	6:SP2_SP2_SP2	C[6a]	N[6a]	B[6a]	3:3:1:	3:3:4:	3:3:3:	B[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3)	B[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC)	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	B[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	122.5203	0.194	3	122.5203	0.194	3
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6,6a]	C	3:3:3:	3:3:3:	3:2:1:	N[6,6a]-3:C[6a]-3:C-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(COO)	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H)	C(C[6a]N[6,6a]C[6a])(OC)(O)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(COO){1|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H){1|H<1>,5|C<3>}	C(C[6a]N[6,6a]C[6a])(OC)(O)	114.1460	0.000	1	114.1460	0.000	1	114.1460	0.000	1	114.1460	0.000	1	114.1460	0.000	1	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C	3:2:3:	3:3:3:	3:3:1:	N[6a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:1:	3:3:2:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	116.7810	0.000	1	116.7810	0.000	1	116.7810	0.000	1	116.7810	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:4:	3:2:1:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH){2|C<3>}	C(C[6a]N[6a]2)(OC)(O)	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:4:	3:3:3:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:4:	3:4:3:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH)	C(C[6a]N[6a]2)(CCHH)(CHN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	C(C[6a]N[6a]2)(CCHH)(CHN)	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(O)2	115.6915	0.899	2	115.6915	0.808	2	115.6448	0.889	25	115.6448	0.889	25	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(O)2	115.6037	1.003	21	115.6037	1.006	21	115.6448	0.889	25	115.6448	0.889	25	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(O)2	116.0290	0.277	2	116.0290	0.077	2	115.6448	0.889	25	115.6448	0.889	25	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(COO){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	112.1280	0.000	1	112.1280	0.000	1	116.0861	5.395	12	115.5789	5.592	15	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	119.2890	0.000	1	119.2890	0.000	1	116.0861	5.395	12	115.5789	5.592	15	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(OCo)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OCo)(O)	116.2630	0.000	1	116.2630	0.000	1	116.0861	5.395	12	115.5789	5.592	15	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.3030	1.333	7	115.3030	1.776	7	116.0861	5.395	12	115.5789	5.592	15	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	119.1160	0.272	2	119.1160	0.074	2	116.0861	5.395	12	115.5789	5.592	15	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:2:1:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]B[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]B[6a]C)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|B<3>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	112.3170	0.000	1	112.3170	0.000	1	113.5500	1.753	3	115.5789	5.592	15	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:2:1:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	114.1665	1.107	2	114.1665	1.225	2	113.5500	1.753	3	115.5789	5.592	15	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[6a]N[6a])(CN)2	118.4200	0.000	1	118.4200	0.000	1	118.4200	0.000	1	118.4200	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]N[6a])(H)	126.2730	0.000	1	126.2730	0.000	1	126.2730	0.000	1	121.4373	36.297	4	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	125.7270	0.000	1	125.7270	0.000	1	125.7270	0.000	1	121.4373	36.297	4	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1	121.4373	36.297	4	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	121.4373	36.297	4	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:O-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C(C[6a]C[6a]N[6a])(H)(O)	119.8550	0.000	1	119.8550	0.000	1	119.8550	0.000	1	119.8550	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	117.0295	0.535	2	117.0295	0.287	2	117.0295	0.287	2	117.0295	0.287	2	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(CHH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O)	C(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)2	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	121.2639	1.590	7	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:1:1:	N[6a]-3:C[6a]-3:C-3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<3>,3|C<3>}	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)2	122.0670	0.000	1	122.0670	0.000	1	121.2235	1.423	2	121.2639	1.590	7	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:1:1:	N[6a]-3:C[6a]-3:C-3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,2|C<3>,2|N<3>}	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)2	120.3800	0.000	1	120.3800	0.000	1	121.2235	1.423	2	121.2639	1.590	7	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:1:1:	N[6a]-3:C[6a]-3:C-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Si[6a]N[6a]Ir)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	N[6a](Si[6a]N[6a]Ir)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)2	122.3540	0.000	1	122.3540	0.000	1	121.3342	2.685	4	121.2639	1.590	7	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:1:1:	N[6a]-3:C[6a]-3:C-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,2|C<3>,2|N<3>}	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C(C[6a]C[6a]N[6a])(H)2	121.6280	0.000	1	121.6280	0.000	1	121.3342	2.685	4	121.2639	1.590	7	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:1:1:	N[6a]-3:C[6a]-3:C-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Si[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|Ni<7>,1|C<4>,1|N<3>,2|C<3>}	N[6a](Si[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)2	122.4190	0.000	1	122.4190	0.000	1	121.3342	2.685	4	121.2639	1.590	7	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:1:1:	N[6a]-3:C[6a]-3:C-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<3>,1|P<2>,2|C<3>}	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)2	118.9360	0.000	1	118.9360	0.000	1	121.3342	2.685	4	121.2639	1.590	7	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(COO){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	114.9980	0.027	2	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:2:1:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.8820	0.000	1	114.8820	0.000	1	114.8820	0.000	1	114.9980	0.027	2	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	120.2450	0.932	2	120.2450	0.869	2	120.2450	0.869	2	119.6153	0.991	4	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	118.4770	0.000	1	118.4770	0.000	1	118.4770	0.000	1	119.6153	0.991	4	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	119.4940	0.000	1	119.4940	0.000	1	119.4940	0.000	1	119.6153	0.991	4	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	118.2110	0.000	1	118.2110	0.000	1	118.2110	0.000	1	118.2110	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:3:	3:4:3:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(CHH)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Si<4>,3|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(CHH)	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CHH){1|C<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)2	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	126.9805	1.688	2	126.9805	2.849	2	126.9805	2.849	2	123.5203	37.343	3	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	123.5203	37.343	3	117.3785	11.127	73	117.3320	10.966	75
643	217	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:3:	4:3:3:	3:2:1:	N[6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.8460	0.000	1	116.8460	0.000	1	116.8460	0.000	1	116.8460	0.000	1	117.3785	11.127	73	117.3320	10.966	75
643	217	933	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]C[6a]){2|C<3>,2|H<1>,2|O<1>}	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|C<4>,3|C<3>}	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,2|C<3>}	116.9240	0.092	2	117.3080	0.272	4	117.3080	0.272	4	116.6154	0.650	10	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|H<1>,3|C<3>}	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,2|C<3>}	117.6920	0.468	2	117.3080	0.272	4	117.3080	0.272	4	116.6154	0.650	10	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H)	O[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|Br<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,2|H<1>}	115.4665	0.042	2	115.4665	0.002	2	116.1537	0.367	6	116.6154	0.650	10	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H)	O[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,2|H<1>}	116.0890	0.000	1	116.0890	0.000	1	116.1537	0.367	6	116.6154	0.650	10	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H)	O[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H){1|Cl<1>,1|C<3>}	O[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	116.4830	0.000	1	116.4830	0.000	1	116.1537	0.367	6	116.6154	0.650	10	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H)	O[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,2|H<1>}	116.7085	0.400	2	116.7085	0.160	2	116.1537	0.367	6	116.6154	0.650	10	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	O[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]2)(O[6a]C[6a])(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){2|H<1>,4|C<3>}	O[6a](C[6a]C[6a]2)(C[6a]N[6a]O){5|C<3>}	116.0770	0.000	1	116.0770	0.000	1	116.0770	0.000	1	116.0770	0.000	1	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){1|H<1>,3|C<3>}	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|C<4>,2|C<3>}	117.8210	0.000	1	117.8210	0.000	1	117.2345	0.688	2	116.9338	0.298	5	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3)	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3){1|H<1>,3|C<3>}	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|C<4>,2|C<3>}	116.6480	0.000	1	116.6480	0.000	1	117.2345	0.688	2	116.9338	0.298	5	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH)	O[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	O[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	116.9125	0.110	2	116.9125	0.012	2	116.7333	0.102	3	116.9338	0.298	5	116.6813	0.518	16	116.8439	0.936	17
643	217	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3)	O[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	O[6a](C[6a]N[6a]O)2{1|C<3>,2|C<4>}	116.3750	0.000	1	116.3750	0.000	1	116.7333	0.102	3	116.9338	0.298	5	116.6813	0.518	16	116.8439	0.936	17
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6,6a]	N	3:3:2:	3:3:3:	3:1:	N[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]N[6,6a]C[6a])(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NH){1|N<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	N(C[6a]N[6,6a]C[6a])(H)	114.9380	0.000	1	114.9380	0.000	1	114.9380	0.000	1	114.9380	0.000	1	114.9380	0.000	1	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:1:	3:1:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)	116.9500	0.000	1	116.9500	0.000	1	116.4670	0.467	2	116.4670	0.467	2	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:1:	3:1:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)	115.9840	0.000	1	115.9840	0.000	1	116.4670	0.467	2	116.4670	0.467	2	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CHN)	113.2490	0.000	1	111.0883	3.511	3	111.0883	3.511	3	111.0883	3.511	3	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]N[6a]2)(CHN)	110.0080	0.139	2	111.0883	3.511	3	111.0883	3.511	3	111.0883	3.511	3	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CHN)	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO){1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CHN)	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:4:	3:4:	N[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCHH)	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH)	N[6a](C[6a]C[6a,6a]N)2(H)	N(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)2(H){3|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)	122.6170	0.000	1	122.6170	0.000	1	122.6170	0.000	1	122.6170	0.000	1	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NC[6a])	N[6a](C[6a]C[6a,6a]N)2(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)2(H){3|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	124.7150	0.000	1	124.7150	0.000	1	124.7150	0.000	1	124.7150	0.000	1	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH)	N(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH){1|C<3>,1|S<2>}	N(C[6a]C[5,6a]N[6a])(H)	118.2370	0.000	1	118.2370	0.000	1	118.2370	0.000	1	118.2370	0.000	1	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:4:	3:2:	N[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:S-2:	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]N[6a])(SS)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH){1|C<3>,1|S<1>,2|S<2>}	N(C[6a]C[6a]N[6a])(SS)	115.5460	0.008	2	115.5460	0.000	2	115.6083	0.012	3	115.6083	0.012	3	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:4:	3:2:	N[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:S-2:	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(SS)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3){1|C<3>,1|S<1>,2|S<2>}	N(C[6a]C[6a]N[6a])(SS)	115.7330	0.000	1	115.7330	0.000	1	115.6083	0.012	3	115.6083	0.012	3	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(CC[5a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]N)	115.2640	0.000	1	115.2640	0.000	1	114.8255	0.385	2	114.4090	0.713	3	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHN)	114.3870	0.000	1	114.3870	0.000	1	114.8255	0.385	2	114.4090	0.713	3	115.6250	14.335	17	115.5868	13.518	18
643	217	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a]){1|C<4>,2|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	113.5760	0.000	1	113.5760	0.000	1	113.5760	0.000	1	114.4090	0.713	3	115.6250	14.335	17	115.5868	13.518	18
643	217	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(I)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(I){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO){1|H<1>,2|C<3>}	I(C[6a]C[6a]N[6a])	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1
643	217	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:2:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	H(C[6a]N[6,6a]C[6a])	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H)	H(C[6a]C[6,6a]N[6,6a])	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(H){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[6,6a]N[6,6a])	120.8260	0.000	1	120.8260	0.000	1	120.8260	0.000	1	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	H(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(H){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6a]C[6a,6a]N[6,6a])	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	H(C[6a]C[6a,6a]N[6,6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H){7|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){8|C<3>}	H(C[6a]C[6a,6a]N[6,6a])	117.9630	0.000	1	117.9630	0.000	1	117.9630	0.000	1	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(H)	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]N[6,6a]C[6a])	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]C)(H){1|O<1>,2|C<3>,2|C<4>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]N[6,6a]C[6a])	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[6a]N[6,6a]C[6a])	119.5120	0.000	1	119.1965	0.199	2	119.6275	0.280	6	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]N[6,6a]C[6a])	118.8810	0.000	1	119.1965	0.199	2	119.6275	0.280	6	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]N[6,6a]C[6a])	120.2270	0.000	2	120.2270	0.000	2	119.6275	0.280	6	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H){1|F<1>,2|H<1>,5|C<3>}	H(C[6a]N[6,6a]C[6a])	119.2960	0.000	1	119.2960	0.000	1	119.6275	0.280	6	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]N[6,6a]C[6a])	119.6220	0.000	1	119.6220	0.000	1	119.6275	0.280	6	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]N[6,6a]C[6a])	119.1255	0.841	2	119.1255	0.707	2	119.1494	0.260	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]N[6,6a]C[6a])	119.4030	0.000	1	119.4030	0.000	1	119.1494	0.260	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]N[6,6a]C[6a])	119.4210	0.000	1	119.3330	0.010	4	119.1494	0.260	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]N[6,6a]C[6a])	119.3037	0.097	3	119.3330	0.010	4	119.1494	0.260	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]N[6,6a]C[6a])	118.2090	0.000	1	118.2090	0.000	1	119.1494	0.260	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6a]N[6,6a]C[6a])	113.2030	0.000	1	113.2030	0.000	1	118.6530	4.890	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[6,6a]C[6a])	119.5820	0.000	1	119.5820	0.000	1	118.6530	4.890	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	H(C[6a]N[6,6a]C[6a])	119.2390	0.000	1	119.4920	0.041	4	118.6530	4.890	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	119.5540	0.000	1	119.4920	0.041	4	118.6530	4.890	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,3|H<1>}	H(C[6a]N[6,6a]C[6a])	119.7250	0.000	1	119.4920	0.041	4	118.6530	4.890	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6a]N[6,6a]C[6a])	119.4500	0.000	1	119.4920	0.041	4	118.6530	4.890	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	H(C[6a]N[6,6a]C[6a])	119.3840	0.000	1	119.3840	0.000	1	118.6530	4.890	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|H<1>,3|C<3>}	H(C[6a]N[6,6a]C[6a])	119.0870	0.000	1	119.0870	0.000	1	118.6530	4.890	8	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	118.3740	0.000	1	118.3870	0.000	2	118.5871	0.026	10	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	118.4000	0.000	1	118.3870	0.000	2	118.5871	0.026	10	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Mo)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Mo<9>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Mo){2|Si<4>,2|C<3>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	118.6440	0.000	1	118.6440	0.000	1	118.5871	0.026	10	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N){2|Si<4>,2|C<3>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	118.5265	0.148	2	118.5265	0.022	2	118.5871	0.026	10	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se){2|Si<4>,2|C<3>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	118.7855	0.189	2	118.7855	0.036	2	118.5871	0.026	10	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Te)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Te<2>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Te){2|Si<4>,2|C<3>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	118.6470	0.010	2	118.6470	0.000	2	118.5871	0.026	10	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]W)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|W<9>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]W){2|Si<4>,2|C<3>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	118.5350	0.000	1	118.5350	0.000	1	118.5871	0.026	10	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H){2|Si<4>,3|H<1>,4|C<3>}	H(C[6a]N[6,6a]C[6a])	118.6670	0.000	1	118.6670	0.000	1	118.2841	0.109	7	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]N[6,6a]C[6a])	118.2535	0.415	2	118.3020	0.093	3	118.2841	0.109	7	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){1|Fe<5>,2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]N[6,6a]C[6a])	118.3990	0.000	1	118.3020	0.093	3	118.2841	0.109	7	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[6,6a]C[6a])	118.2975	0.325	2	118.2975	0.105	2	118.2841	0.109	7	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[6,6a]C[6a])	117.8210	0.000	1	117.8210	0.000	1	118.2841	0.109	7	118.8623	1.194	44	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]N[6,6a]C[6a])	119.1140	0.000	1	119.1140	0.000	1	118.2895	1.683	20	118.3178	1.508	23	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,2|C<4>,4|C<3>}	H(C[6a]N[6,6a]C[6a])	116.4780	0.000	1	117.6968	1.196	13	118.2895	1.683	20	118.3178	1.508	23	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]N[6,6a]C[6a])	117.7984	1.076	12	117.6968	1.196	13	118.2895	1.683	20	118.3178	1.508	23	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]N[6,6a]C[6a])	119.4360	0.947	6	119.4360	0.898	6	118.2895	1.683	20	118.3178	1.508	23	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]C)(H)	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	118.0845	0.090	2	118.0845	0.008	2	118.5067	0.539	3	118.3178	1.508	23	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	H	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]N[6,6a]C[6a])	119.3510	0.000	1	119.3510	0.000	1	118.5067	0.539	3	118.3178	1.508	23	118.6900	1.343	68	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[6a,6a]C[6a])	119.5340	0.392	2	119.5340	0.153	2	119.5340	0.153	2	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.1340	0.000	1	118.1340	0.000	1	118.8655	1.070	2	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]N[6a,6a]C[6a])	119.5970	0.000	1	119.5970	0.000	1	118.8655	1.070	2	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|I<1>,2|C<3>,3|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.3905	0.104	2	119.0145	0.075	15	119.0145	0.075	15	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|Br<1>,2|C<3>,2|H<1>}	H(C[6a]N[6a,6a]C[6a])	118.6685	0.213	2	119.0145	0.075	15	119.0145	0.075	15	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.1167	0.181	4	119.0145	0.075	15	119.0145	0.075	15	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6a]N[6a,6a]C[6a])	119.0787	0.145	3	119.0145	0.075	15	119.0145	0.075	15	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	H(C[6a]N[6a,6a]C[6a])	118.8492	0.232	4	119.0145	0.075	15	119.0145	0.075	15	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]N[6a,6a]C[6a])	119.4642	0.494	4	119.4642	0.244	4	119.4642	0.244	4	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.7665	0.097	2	118.7665	0.009	2	118.7665	0.009	2	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]N[6a,6a]C[6a])	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]F)(H)	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,3|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.8190	0.372	2	119.8190	0.138	2	119.2867	0.919	3	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.2220	0.000	1	118.2220	0.000	1	119.2867	0.919	3	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H)	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H){1|N<2>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.5210	0.000	1	118.5210	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(H)	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.9260	0.000	1	118.9260	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,3|C<3>}	H(C[6a]N[6a,6a]C[6a])	119.1250	0.000	1	119.1250	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6a]N[6a,6a]C[6a])	119.5090	0.000	1	119.5090	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.2990	0.000	1	119.2990	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.7050	0.000	1	118.7050	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.8050	0.000	1	118.8050	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[6a,6a]C[6a])	119.0630	0.000	1	119.0630	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,3|H<1>,4|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.8760	0.000	1	118.8290	0.004	2	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|I<1>,4|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.7820	0.000	1	118.8290	0.004	2	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.1870	0.147	2	119.1868	0.075	9	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.5930	0.000	1	119.1868	0.075	9	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.1350	0.000	1	119.1868	0.075	9	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.1158	0.312	5	119.1868	0.075	9	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[6a,6a]C[6a])	119.2520	0.000	1	119.2520	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.5120	0.000	1	118.9167	3.157	11	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.6814	0.108	5	118.9167	3.157	11	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	H(C[6a]N[6a,6a]C[6a])	119.4980	0.000	1	118.9167	3.157	11	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.7103	2.073	3	118.9167	3.157	11	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	H(C[6a]N[6a,6a]C[6a])	114.5360	0.000	1	118.9167	3.157	11	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	H(C[6a]N[6a,6a]C[6a])	119.6160	0.000	1	119.6160	0.000	1	119.0389	1.089	32	119.0662	0.660	62	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:4:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]N[6a,6a]C[6a])	118.7160	0.000	1	118.2043	0.282	3	118.2043	0.282	3	118.2043	0.282	3	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	3:4:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){3|C<3>,3|C<4>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[6a,6a]C[6a])	117.9485	0.414	2	118.2043	0.282	3	118.2043	0.282	3	118.2043	0.282	3	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a,6a]	H	3:3:1:	4:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]B[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]B[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){4|C<3>,4|C<4>,4|H<1>}	H(C[6a]N[6a,6a]C[6a])	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	119.0145	0.671	66	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	117.0720	0.218	2	117.0720	0.047	2	116.8260	0.977	42	116.8260	0.977	42	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	116.6760	1.073	19	116.6760	1.152	19	116.8260	0.977	42	116.8260	0.977	42	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<1>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	117.4430	0.000	1	117.4430	0.000	1	116.8260	0.977	42	116.8260	0.977	42	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.1840	0.000	1	116.8398	1.179	16	116.8260	0.977	42	116.8260	0.977	42	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	117.1242	0.502	11	116.8398	1.179	16	116.8260	0.977	42	116.8260	0.977	42	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	H(C[6a]N[6a]2)	116.1937	2.244	3	116.8398	1.179	16	116.8260	0.977	42	116.8260	0.977	42	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	117.3060	0.000	1	116.8398	1.179	16	116.8260	0.977	42	116.8260	0.977	42	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<1>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	116.9880	0.000	1	116.9880	0.000	1	116.8260	0.977	42	116.8260	0.977	42	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	H(C[6a]N[6a]2)	117.2790	0.103	3	117.2790	0.011	3	116.8260	0.977	42	116.8260	0.977	42	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[6a]2)	110.3520	0.000	1	110.3520	0.000	1	115.7130	6.908	6	115.7130	6.908	6	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[6a]2)	116.7852	0.112	5	116.7852	0.012	5	115.7130	6.908	6	115.7130	6.908	6	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH){1|C<3>,1|S<2>}	H(C[6a]N[6a]2)	116.6210	0.000	1	116.6210	0.000	1	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(C[6a]N[6a]2)	116.8635	0.100	2	116.8635	0.010	2	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	H(C[6a]N[6a]2)	116.9630	0.000	1	116.9630	0.000	1	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	H(C[6a]N[6a]2)	117.0610	0.000	1	117.0610	0.000	1	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(C[6a]N[6a]2)	116.1790	0.000	2	116.5756	0.177	5	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(C[6a]N[6a]2)	116.8400	0.302	3	116.5756	0.177	5	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH){2|C<3>}	H(C[6a]N[6a]2)	116.9900	0.000	1	116.9900	0.000	1	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH){2|C<3>}	H(C[6a]N[6a]2)	116.9425	0.414	2	116.9425	0.171	2	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	H(C[6a]N[6a]2)	116.8950	0.000	1	116.8950	0.000	1	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	H(C[6a]N[6a]2)	117.1110	0.457	2	117.1110	0.209	2	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	H(C[6a]N[6a]2)	117.0030	0.319	3	117.0030	0.102	3	116.8553	0.113	19	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	H(C[6a]N[6a]2)	117.7120	0.000	1	117.7120	0.000	1	117.5215	0.073	2	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	H(C[6a]N[6a]2)	117.3310	0.000	1	117.3310	0.000	1	117.5215	0.073	2	116.9188	0.145	21	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.2070	0.000	1	115.7075	0.501	2	115.7075	0.501	2	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){3|C<3>}	H(C[6a]N[6a]2)	116.2080	0.000	1	115.7075	0.501	2	115.7075	0.501	2	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){1|C<3>,2|N<2>}	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	H(C[6a]N[6a]2)	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	H(C[6a]N[6a]2)	117.7120	0.000	1	117.7120	0.000	1	117.7021	0.302	11	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	117.9655	0.433	2	117.7011	0.335	10	117.7021	0.302	11	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	H(C[6a]N[6a]2)	117.9910	0.000	1	117.7011	0.335	10	117.7021	0.302	11	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	117.7210	0.000	1	117.7011	0.335	10	117.7021	0.302	11	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	116.1440	0.000	1	117.7011	0.335	10	117.7021	0.302	11	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	117.8187	0.186	3	117.7011	0.335	10	117.7021	0.302	11	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	117.8840	0.054	2	117.7011	0.335	10	117.7021	0.302	11	117.3645	0.802	14	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]N[6a]2)	116.9880	0.105	2	117.1153	0.116	4	117.1153	0.116	4	117.1153	0.116	4	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|H<1>,1|I<1>,4|C<3>}	H(C[6a]N[6a]2)	117.6120	0.000	1	117.1153	0.116	4	117.1153	0.116	4	117.1153	0.116	4	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<4>,4|C<3>}	H(C[6a]N[6a]2)	116.8730	0.000	1	117.1153	0.116	4	117.1153	0.116	4	117.1153	0.116	4	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	113.7740	0.000	1	113.7740	0.000	1	115.3110	4.725	2	116.6030	2.740	6	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH){1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	116.8480	0.000	1	116.8480	0.000	1	115.3110	4.725	2	116.6030	2.740	6	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.5715	0.264	2	116.5715	0.070	2	116.5715	0.070	2	116.6030	2.740	6	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]N[6a]2)	117.9265	1.436	2	117.9265	2.062	2	117.9265	2.062	2	116.6030	2.740	6	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:4:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6a]N[6a]2)	116.7140	0.000	1	116.7140	0.000	1	116.7140	0.000	1	116.8910	0.046	4	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:4:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6a]N[6a]2)	116.9500	0.221	3	116.9500	0.049	3	116.9500	0.049	3	116.8910	0.046	4	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]N[6a]2)	116.8500	0.000	1	116.8500	0.000	1	117.3740	0.549	2	117.3740	0.549	2	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]N[6a]2)	117.8980	0.000	1	117.8980	0.000	1	117.3740	0.549	2	117.3740	0.549	2	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	H(C[6a]C[5,6a]N[6a])	116.5795	1.122	2	116.5795	1.259	2	116.5795	1.259	2	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]N[6a])	119.8070	0.013	2	119.8070	0.000	2	119.6140	1.716	5	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	119.4853	1.836	3	119.4853	3.370	3	119.6140	1.716	5	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(C[6a]C[6,6a]N[6a])	120.0280	0.000	1	120.0280	0.000	1	120.0280	0.000	1	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	119.4152	0.211	5	119.4152	0.044	5	119.4152	0.044	5	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	113.8913	3.719	3	113.8913	13.830	3	115.3300	12.608	5	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H)	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.3920	0.000	1	119.3920	0.000	1	115.3300	12.608	5	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.5840	0.000	1	115.5840	0.000	1	115.3300	12.608	5	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.2250	0.000	1	119.2250	0.000	1	119.2250	0.000	1	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	115.1110	0.167	2	116.0167	2.475	3	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.8280	0.000	1	116.0167	2.475	3	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	120.0030	0.000	1	120.0030	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4670	0.000	1	118.4480	0.001	2	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	H(C[6a]C[6a]N[6a])	118.4290	0.000	1	118.4480	0.001	2	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.3800	0.000	1	119.3800	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	115.5080	2.593	4	116.2071	4.314	7	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	H(C[6a]C[6a]N[6a])	117.1393	0.757	3	116.2071	4.314	7	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	120.4810	0.000	1	120.4810	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	120.4510	0.000	1	120.4510	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.5810	0.000	1	119.0930	0.524	2	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6a]C[6a]N[6a])	119.6050	0.000	1	119.0930	0.524	2	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.2477	0.087	4	117.9173	6.877	15	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	119.7370	0.000	1	117.9173	6.877	15	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	114.7180	0.000	1	117.9173	6.877	15	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.4793	3.039	9	117.9173	6.877	15	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	H(C[6a]C[6a]N[6a])	120.1080	0.000	1	120.1080	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.2120	0.000	1	117.8657	2.104	28	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7606	1.832	14	117.8657	2.104	28	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.5290	0.000	1	117.8657	2.104	28	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9041	0.944	12	117.8657	2.104	28	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6110	3.504	2	117.6110	12.281	2	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.8630	0.000	1	118.8630	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	120.4027	0.111	4	120.4027	0.012	4	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Cl<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	115.4250	0.000	1	115.4250	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	H(C[6a]C[6a]N[6a])	119.7355	1.882	45	118.9981	4.337	84	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9742	1.981	36	118.9981	4.337	84	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.9780	0.000	1	118.9981	4.337	84	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|O<1>,2|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	H(C[6a]C[6a]N[6a])	120.3475	0.114	2	118.9981	4.337	84	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.5272	2.743	5	118.6794	4.009	56	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.7560	0.000	1	118.6794	4.009	56	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.5565	2.648	2	118.6794	4.009	56	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.2304	2.249	5	118.6794	4.009	56	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6956	1.834	26	118.6794	4.009	56	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.2394	1.564	11	118.6794	4.009	56	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	112.4420	0.000	1	118.6794	4.009	56	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.0217	0.085	4	118.6794	4.009	56	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.1420	0.000	1	118.6794	4.009	56	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.2420	0.000	1	117.2420	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.2532	0.820	32	119.1482	0.991	34	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<4>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.1810	0.000	1	119.1482	0.991	34	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.7540	0.000	1	119.1482	0.991	34	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|O<2>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	116.0420	4.384	2	116.0420	19.220	2	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	119.6350	0.000	1	118.9283	2.350	44	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.1578	1.084	41	118.9283	2.350	44	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	113.8710	0.427	2	118.9283	2.350	44	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[6a]N[6a])	119.3285	0.241	2	119.3285	0.058	2	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	120.2570	0.000	1	120.2570	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	H(C[6a]C[6a]N[6a])	116.5310	0.000	1	118.6126	4.332	8	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.7988	2.229	6	118.6126	4.332	8	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	H(C[6a]C[6a]N[6a])	119.5770	0.000	1	118.6126	4.332	8	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(H){1|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	119.5135	0.136	4	119.5135	0.019	4	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.7700	0.000	1	119.7700	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.7380	0.000	1	119.7380	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	119.7130	0.000	1	119.7130	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.3157	3.489	3	117.3157	12.174	3	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<2>}	H(C[6a]C[6a]N[6a])	121.0280	0.000	1	121.0280	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<4>}	H(C[6a]C[6a]N[6a])	119.9410	0.000	1	119.9410	0.000	1	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[6a]N[6a])	120.1715	0.135	2	120.1715	0.018	2	118.7043	3.725	316	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.7405	0.327	2	119.4963	0.232	3	119.1590	0.338	5	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.0080	0.000	1	119.4963	0.232	3	119.1590	0.338	5	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6530	0.184	2	118.6530	0.034	2	119.1590	0.338	5	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.2240	0.000	1	118.0491	0.031	7	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.1115	0.074	2	118.0491	0.031	7	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.1220	0.174	2	118.0491	0.031	7	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.8265	0.012	2	118.0491	0.031	7	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.7690	0.000	1	119.2290	0.583	2	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.6890	0.000	1	119.2290	0.583	2	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.3200	0.000	1	119.3200	0.000	1	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	120.2420	0.000	1	119.6787	0.249	4	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	119.7250	0.000	1	119.6787	0.249	4	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.7220	0.000	1	119.6787	0.249	4	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.0260	0.000	1	119.6787	0.249	4	118.7741	0.706	14	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(H){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	115.9170	0.000	1	115.9170	0.000	1	117.9295	2.411	4	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(H){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	H(C[6a]N[6a]2)	119.1520	0.083	2	119.1520	0.007	2	117.9295	2.411	4	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(H){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	117.4970	0.000	1	117.4970	0.000	1	117.9295	2.411	4	118.6735	3.719	358	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS){3|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	118.7755	1.678	13	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	H(C[6a]C[6a]N[6a])	119.1485	0.156	4	119.1485	0.024	4	119.1485	0.024	4	118.7755	1.678	13	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.9270	0.081	4	118.9270	0.007	4	118.4647	2.535	8	118.7755	1.678	13	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7165	3.403	2	117.7165	11.582	2	118.4647	2.535	8	118.7755	1.678	13	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5]){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.7210	0.000	1	119.7210	0.000	1	118.4647	2.535	8	118.7755	1.678	13	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H)	N[6a](C[6a]C[6a]H)2(OH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	116.8560	0.000	1	116.8560	0.000	1	118.4647	2.535	8	118.7755	1.678	13	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	H(C[6a]B[6a]N[6a])	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){3|C<4>,4|C<3>}	H(C[6a]B[6a]N[6a])	118.6530	0.205	2	118.6530	0.042	2	118.6530	0.042	2	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]B[5])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6,6a]N[6a])	118.6480	0.000	1	118.6480	0.000	1	118.6480	0.000	1	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0733	0.116	4	118.0733	0.013	4	118.9978	0.372	18	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.4547	0.105	3	119.4547	0.011	3	118.9978	0.372	18	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.7870	0.000	1	119.7870	0.000	1	118.9978	0.372	18	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.4690	0.000	1	119.4690	0.000	1	118.9978	0.372	18	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.5980	0.000	1	119.5980	0.000	1	118.9978	0.372	18	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.7435	0.128	4	118.7435	0.016	4	118.9978	0.372	18	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CN[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.3690	0.227	4	119.3690	0.051	4	118.9978	0.372	18	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[6a]N[6a])	118.5040	0.000	1	118.5040	0.000	1	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.5280	0.000	1	118.5280	0.000	1	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.6780	0.000	1	119.3115	0.269	2	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.9450	0.000	1	119.3115	0.269	2	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.3580	0.000	1	117.3580	0.000	1	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.0971	0.193	10	119.0971	0.037	10	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.4110	0.000	1	119.3620	0.102	16	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.3266	0.341	12	119.3620	0.102	16	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.7480	0.000	1	119.3620	0.102	16	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.5580	0.000	1	119.3620	0.102	16	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	H(C[6a]C[6a]N[6a])	119.1560	0.000	1	119.3620	0.102	16	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.2030	0.310	2	119.1487	0.064	10	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.3425	0.377	2	119.1487	0.064	10	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6a]C[6a]N[6a])	119.0660	0.206	6	119.1487	0.064	10	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.1550	0.000	1	118.6095	0.595	2	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0640	0.000	1	118.6095	0.595	2	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	119.3515	0.026	2	119.3515	0.001	2	119.1374	0.199	45	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){2|C<3>}	H(C[6a]C[6a]N[6a])	115.3950	0.000	1	115.3950	0.000	1	116.5683	6.564	3	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){2|C<3>}	H(C[6a]C[6a]N[6a])	117.1550	3.326	2	117.1550	11.064	2	116.5683	6.564	3	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	H(C[6a]C[6a]N[6a])	119.0220	0.061	2	119.0220	0.004	2	119.0220	0.004	2	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>}	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cd<6>,3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.5230	0.000	1	119.5230	0.000	1	119.5230	0.000	1	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]C[6a]N[6a])	117.8995	0.134	2	117.8995	0.018	2	118.1217	0.157	3	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[6a]N[6a])	118.5660	0.000	1	118.5660	0.000	1	118.1217	0.157	3	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]N)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]N)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.8610	0.000	1	117.8610	0.000	1	117.8610	0.000	1	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](N[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[6a]N[6a])	119.3355	0.279	2	119.3355	0.078	2	119.3355	0.078	2	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.0640	0.221	4	119.2611	0.126	8	119.2611	0.126	8	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<5>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.4582	0.375	4	119.2611	0.126	8	119.2611	0.126	8	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6a]C[6a]N[6a])	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]B[6a]C[6a])2(H){7|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<4>,5|C<3>}	H(C[6a]N[6a]2)	118.3745	0.025	2	118.3745	0.001	2	117.9748	1.780	4	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]B[6a]C[6a])2(H){2|N<3>,5|C<3>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<3>,3|C<4>}	H(C[6a]N[6a]2)	117.5750	2.168	2	117.5750	4.700	2	117.9748	1.780	4	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)2(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)2(H){2|O<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){2|C<4>,5|C<3>}	H(C[6a]N[6a]2)	118.7241	0.250	8	118.8422	0.072	12	118.8422	0.072	12	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)2(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)2(H){2|O<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|C<4>,4|C<3>}	H(C[6a]N[6a]2)	119.0782	0.091	4	118.8422	0.072	12	118.8422	0.072	12	118.8718	0.785	105	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	B[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3)	H(C[6a]B[6a]N[6a])	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]B[6a]N[6a])	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(C[6a]C[5,6a]N[6a])	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	120.6080	0.000	1	120.6080	0.000	1	120.4005	0.086	2	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H){1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]N[6a])	120.1930	0.000	1	120.1930	0.000	1	120.4005	0.086	2	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){1|H<1>,1|S<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.5030	0.107	2	118.5030	0.012	2	119.0545	1.415	13	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)2(CCHH)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)2(CCHH){3|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.9340	1.967	2	116.9340	3.870	2	119.0545	1.415	13	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)2(CH3)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)2(CH3){3|C<3>}	H(C[6a]C[6a,6a]N[6a])	119.6421	0.213	8	119.6421	0.045	8	119.0545	1.415	13	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	119.6980	0.000	1	119.6980	0.000	1	119.0545	1.415	13	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.5445	0.149	2	118.6207	0.029	3	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|I<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.7730	0.000	1	118.6207	0.029	3	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.6160	0.153	2	118.6160	0.023	2	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.0230	0.000	1	115.0230	0.000	1	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	114.7800	1.318	2	114.7800	1.737	2	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.6645	0.472	2	116.6645	0.222	2	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.9220	0.000	1	118.9220	0.000	1	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.9938	0.656	4	115.9938	0.430	4	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|P<4>}	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	113.9960	0.000	1	113.9960	0.000	1	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.5095	0.129	2	119.4532	0.031	4	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.3970	0.253	2	119.4532	0.031	4	117.2856	3.670	20	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.2073	0.118	4	117.2073	0.014	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|Fe<10>,1|B<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.0180	0.000	1	117.0180	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0030	0.000	1	118.0030	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.7250	0.000	1	118.7250	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[5])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[5])(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9920	0.000	1	117.9920	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.4860	0.000	1	119.4860	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.0980	0.000	1	119.0980	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3620	0.000	1	118.3620	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Se)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]Se)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|Se<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2980	0.000	1	118.2980	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|I<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.4880	0.000	1	117.4880	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.9080	0.301	3	118.9080	0.090	3	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){3|C<3>}	H(C[6a]C[6a]N[6a])	119.0790	0.000	1	118.9800	0.010	3	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.9830	0.000	1	118.9800	0.010	3	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.8780	0.000	1	118.9800	0.010	3	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.8740	0.000	1	118.9135	0.003	2	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	H(C[6a]C[6a]N[6a])	118.9530	0.000	1	118.9135	0.003	2	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0595	0.139	2	118.0595	0.019	2	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){2|C<3>}	H(C[6a]C[6a]N[6a])	118.9840	0.000	1	117.9592	1.069	48	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	119.2825	0.026	2	117.9592	1.069	48	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.6452	1.170	30	117.9592	1.069	48	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.3660	0.242	13	117.9592	1.069	48	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0600	0.000	1	117.9592	1.069	48	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3190	0.000	1	117.9592	1.069	48	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	116.4435	3.377	4	116.4435	11.405	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9300	0.000	1	117.9300	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7560	0.370	3	117.9924	0.181	5	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.3470	0.181	2	117.9924	0.181	5	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	115.7780	0.146	2	117.2348	2.837	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	118.6915	0.012	2	117.2348	2.837	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	114.1620	0.000	1	114.1620	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2300	0.000	1	118.2300	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	118.5620	0.000	1	118.5620	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|S<2>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.6680	1.849	5	116.6680	3.419	5	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>}	H(C[6a]C[6a]N[6a])	120.1497	0.226	3	119.5963	0.071	25	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.5209	0.164	22	119.5963	0.071	25	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.3440	0.000	1	119.3440	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|B<3>,2|H<1>}	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	115.8350	0.000	1	115.8350	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.8930	0.104	3	118.8930	0.011	3	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.7300	0.000	1	118.7300	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.9380	0.000	1	118.9380	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.8703	0.328	6	118.8703	0.108	6	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.8350	0.390	3	119.1490	0.496	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[6a]N[6a])	120.0910	0.000	1	119.1490	0.496	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.1750	0.000	1	119.0820	0.017	2	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.9890	0.000	1	119.0820	0.017	2	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.5267	0.412	4	119.5267	0.169	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.1170	0.000	1	119.1170	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.0070	0.000	1	119.0070	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.1930	0.000	1	119.1930	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.2487	0.238	3	119.2466	0.021	7	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.2450	0.058	4	119.2466	0.021	7	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.0145	0.069	2	119.0055	0.935	17	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.1807	0.205	7	119.0055	0.935	17	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.9900	0.000	1	119.0055	0.935	17	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.6303	0.107	3	119.0055	0.935	17	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.2295	1.905	4	119.0055	0.935	17	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.3737	0.178	3	119.4705	0.059	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.7610	0.000	1	119.4705	0.059	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.6860	0.000	1	118.5802	1.238	23	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4650	1.766	9	118.5802	1.238	23	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.5748	0.278	13	118.5802	1.238	23	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6220	0.000	1	118.6220	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.4030	0.000	1	118.4030	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.9970	0.000	1	118.6167	0.111	3	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.4265	0.074	2	118.6167	0.111	3	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.7710	0.000	1	118.7710	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.4380	0.000	1	119.4380	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.7340	0.145	3	118.4830	0.088	6	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2320	0.106	3	118.4830	0.088	6	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2806	1.527	13	118.4492	1.898	17	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6145	0.026	2	118.4492	1.898	17	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.0360	0.000	1	118.4492	1.898	17	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.7230	0.000	1	118.4492	1.898	17	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.8680	0.000	1	118.8680	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.0450	0.133	12	118.6032	2.553	13	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	113.3020	0.000	1	118.6032	2.553	13	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.1510	0.066	4	119.1510	0.004	4	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|I<1>}	H(C[6a]C[6a]N[6a])	119.5355	0.255	2	119.5355	0.065	2	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	119.4890	0.000	1	119.4890	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|Pd<4>,1|N<2>}	H(C[6a]C[6a]N[6a])	120.8890	0.000	1	120.8890	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.7700	0.000	1	119.7700	0.000	1	118.5399	1.526	248	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]S)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|Si<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:Si-4:	C[6a]-3:	C[6a](N[6a]B[6a]Si)(C[6a]C[6a]H)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]B[6a]Si)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6750	0.000	1	118.6750	0.000	1	118.6750	0.000	1	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|Br<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.5160	0.000	1	119.5160	0.000	1	118.7240	3.312	10	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.6297	0.084	3	119.6297	0.007	3	118.7240	3.312	10	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.1857	0.099	3	119.1857	0.010	3	118.7240	3.312	10	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	113.6230	0.000	1	113.6230	0.000	1	118.7240	3.312	10	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.8750	0.000	1	118.8750	0.000	1	118.7240	3.312	10	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.7800	0.000	1	118.7800	0.000	1	118.7240	3.312	10	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]B[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]B[6a]C)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	114.2465	1.191	2	114.2465	1.420	2	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.8490	0.058	2	117.8490	0.003	2	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.4007	0.392	3	117.7077	0.516	42	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.7313	0.735	39	117.7077	0.516	42	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.4260	0.000	1	117.4260	0.000	1	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	H(C[6a]C[6a]N[6a])	117.6901	0.835	20	117.6901	0.697	20	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	115.2670	0.000	1	115.2670	0.000	1	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.0630	0.079	2	119.0630	0.006	2	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3470	0.000	1	118.3470	0.000	1	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3450	0.000	1	118.3450	0.000	1	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.8000	0.000	1	119.8000	0.000	1	117.6579	1.036	73	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,1|F<1>,3|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.1590	0.000	1	117.3408	1.629	63	117.3547	1.615	64	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,4|C<3>,4|H<1>}	H(C[6a]C[6a]N[6a])	116.8990	0.000	1	117.3408	1.629	63	117.3547	1.615	64	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|F<1>,4|C<3>,4|H<1>}	H(C[6a]C[6a]N[6a])	116.5096	2.648	9	117.3408	1.629	63	117.3547	1.615	64	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,4|C<3>,4|H<1>}	H(C[6a]C[6a]N[6a])	116.9480	0.000	1	117.3408	1.629	63	117.3547	1.615	64	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[6a]C[6a]N[6a])	117.5130	0.337	11	117.3408	1.629	63	117.3547	1.615	64	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	H(C[6a]C[6a]N[6a])	117.5058	0.957	40	117.3408	1.629	63	117.3547	1.615	64	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,6|H<1>}	H(C[6a]C[6a]N[6a])	118.2340	0.000	1	118.2340	0.000	1	117.3547	1.615	64	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[6a]N[6a])	117.3907	0.184	3	117.3907	0.034	3	117.3907	0.034	3	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.9780	0.000	1	117.9780	0.000	1	118.3600	0.292	2	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){3|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.7420	0.000	1	118.7420	0.000	1	118.3600	0.292	2	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[4])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[4])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H){1|C<3>,2|F<1>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.0470	0.000	1	118.0470	0.000	1	118.3274	0.090	5	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.0170	0.000	1	118.0170	0.000	1	118.3274	0.090	5	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[6a]N[6a])	118.4930	0.000	1	118.5243	0.034	3	118.3274	0.090	5	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.7220	0.000	1	118.5243	0.034	3	118.3274	0.090	5	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	H(C[6a]C[6a]N[6a])	118.3580	0.000	1	118.5243	0.034	3	118.3274	0.090	5	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	118.1761	1.910	447	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	120.9015	0.052	2	120.9015	0.003	2	120.9015	0.003	2	118.5428	10.857	5	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(H)	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>,2|O<2>}	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a,6a]N[6a])	119.5350	0.000	1	119.5350	0.000	1	119.5350	0.000	1	118.5428	10.857	5	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:4:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.4280	0.000	1	115.6880	15.015	2	115.6880	15.015	2	118.5428	10.857	5	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	3:4:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	112.9480	0.000	1	115.6880	15.015	2	115.6880	15.015	2	118.5428	10.857	5	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]C[5])(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<4>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	109.1350	0.000	1	109.1350	0.000	1	116.3974	16.498	5	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,2|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2265	0.023	2	118.2265	0.001	2	116.3974	16.498	5	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C[5])(H){1|Fe<10>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.1995	0.254	2	118.1995	0.064	2	116.3974	16.498	5	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.2520	0.858	3	118.3568	0.390	5	118.5383	0.328	8	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.5140	0.074	2	118.3568	0.390	5	118.5383	0.328	8	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.9875	0.411	2	118.8407	0.149	3	118.5383	0.328	8	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.5470	0.000	1	118.8407	0.149	3	118.5383	0.328	8	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.2325	0.508	4	118.2325	0.258	4	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.2670	0.000	1	119.2670	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	114.9310	0.000	1	114.9310	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.2300	0.185	2	118.2300	0.034	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	117.8870	0.000	1	117.8870	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.4190	0.000	1	118.3805	0.025	4	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.4780	0.000	2	118.3805	0.025	4	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.1470	0.000	1	118.3805	0.025	4	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.9220	0.000	1	118.9220	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.6970	0.000	1	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.4735	0.113	6	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.8015	0.148	2	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.7235	0.245	2	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.4432	0.162	5	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.4910	0.147	2	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	117.4386	2.394	7	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[6a]N[6a])	118.5270	0.266	4	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.8427	1.399	28	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.5000	0.000	1	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.5490	0.106	2	118.1693	1.827	60	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<3>,2|O<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.4430	0.000	1	118.4430	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	110.7800	0.000	1	111.6555	1.533	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	112.5310	0.000	1	111.6555	1.533	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.7290	0.000	1	119.7290	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>,1|S<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	120.5803	0.207	4	119.8942	0.332	11	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.3710	0.000	1	119.8942	0.332	11	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.5802	0.175	5	119.8942	0.332	11	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	119.2430	0.000	1	119.8942	0.332	11	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|O<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	H(C[6a]C[6a]N[6a])	119.8850	0.000	2	119.8850	0.000	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.7510	0.000	1	118.7510	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.7030	0.318	4	118.6740	0.080	5	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.5580	0.000	1	118.6740	0.080	5	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.8960	0.000	1	118.9115	0.000	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.9270	0.000	1	118.9115	0.000	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.0430	0.519	2	119.0430	0.269	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.0573	2.033	9	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.6490	0.000	1	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.9402	1.377	6	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.0363	0.895	7	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.8110	0.291	2	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.5350	0.000	1	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.7940	0.041	4	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.9310	0.000	1	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.7775	0.085	11	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.7845	0.323	4	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[6a]N[6a])	117.5610	2.084	5	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.9065	0.373	2	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	120.0220	0.000	1	118.4751	1.839	54	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	114.9810	0.000	1	114.9810	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	H(C[6a]C[6a]N[6a])	115.2080	0.000	1	115.2080	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1740	0.000	1	118.5985	0.360	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|O<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.0230	0.000	1	118.5985	0.360	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.5920	0.000	1	119.5920	0.000	1	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	114.8220	0.000	1	116.5965	6.298	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.3710	0.000	1	116.5965	6.298	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|I<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.7205	0.609	2	118.7205	0.371	2	118.3382	2.384	164	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.2783	0.135	6	118.2783	0.018	6	118.2783	0.018	6	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|O<1>}	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[6a]C[6a]N[6a])	113.3290	0.355	2	113.3290	0.126	2	117.6354	7.125	9	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.5940	0.000	1	119.3275	0.047	6	117.6354	7.125	9	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.3435	0.133	4	119.3275	0.047	6	117.6354	7.125	9	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[6a]N[6a])	118.9970	0.000	1	119.3275	0.047	6	117.6354	7.125	9	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.0960	0.000	1	116.0960	0.000	1	117.6354	7.125	9	118.2612	2.809	192	118.2971	2.689	1219	118.3518	2.551	1353
643	217	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:O-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(SO3)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	S(C[6a]C[6a]N[6a])(O)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(SO3){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]N[6a])(O)3	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	N[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a,6a]N[6a])(H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,2|N<2>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N){1|H<1>,2|C<3>}	N(C[6a]N[6a,6a]N[6a])(H)2	118.5980	0.000	2	118.5980	0.000	2	118.5980	0.000	2	118.5980	0.000	2	118.5980	0.000	2	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	116.4756	1.102	52	116.4756	1.213	52	116.5811	1.013	83	116.5811	1.013	83	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	116.6618	0.828	24	116.6681	0.634	28	116.5811	1.013	83	116.5811	1.013	83	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	N(C[6a]N[6a]2)(H)2	117.6880	0.000	1	116.6681	0.634	28	116.5811	1.013	83	116.5811	1.013	83	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.3787	0.125	3	116.6681	0.634	28	116.5811	1.013	83	116.5811	1.013	83	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	117.2630	0.000	1	117.5960	0.086	3	116.5811	1.013	83	116.5811	1.013	83	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	117.7140	0.000	1	117.5960	0.086	3	116.5811	1.013	83	116.5811	1.013	83	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]N[6a]2)(H)2	117.8110	0.000	1	117.5960	0.086	3	116.5811	1.013	83	116.5811	1.013	83	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(CCO)(H)	117.1530	0.209	2	117.0985	1.807	6	117.7473	2.050	10	116.7609	5.379	13	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCO)(H)	117.0712	1.730	4	117.0985	1.807	6	117.7473	2.050	10	116.7609	5.379	13	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCO)(H)	119.5535	0.460	2	119.5535	0.212	2	117.7473	2.050	10	116.7609	5.379	13	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCO)(H)	117.8875	0.337	2	117.8875	0.114	2	117.7473	2.050	10	116.7609	5.379	13	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.2830	0.000	2	114.2830	0.000	2	113.4730	1.968	3	116.7609	5.379	13	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	111.8530	0.000	1	111.8530	0.000	1	113.4730	1.968	3	116.7609	5.379	13	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(COO)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(COO)2	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:1:	4:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(H)	115.6295	0.730	2	115.6295	0.534	2	115.6295	0.534	2	115.6295	0.534	2	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|Br<1>,1|H<1>,4|C<3>}	N(C[6a]N[6a]2)(H)2	116.4430	0.000	1	116.4430	0.000	1	116.4430	0.000	1	116.4430	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,1|O<2>,4|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.2645	0.241	2	114.2645	0.058	2	114.2645	0.058	2	114.3748	0.039	4	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.4100	0.000	1	114.4850	0.011	2	114.4850	0.011	2	114.3748	0.039	4	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.5600	0.000	1	114.4850	0.011	2	114.4850	0.011	2	114.3748	0.039	4	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	117.4190	0.000	1	117.4190	0.000	1	116.8568	0.185	11	116.8992	0.189	12	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	116.6840	0.000	1	116.6840	0.000	1	116.8568	0.185	11	116.8992	0.189	12	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	116.9280	0.000	1	116.7095	0.161	6	116.8568	0.185	11	116.8992	0.189	12	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	116.7323	0.460	3	116.7095	0.161	6	116.8568	0.185	11	116.8992	0.189	12	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	116.1840	0.000	1	116.7095	0.161	6	116.8568	0.185	11	116.8992	0.189	12	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	116.9480	0.000	1	116.7095	0.161	6	116.8568	0.185	11	116.8992	0.189	12	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[3]HH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]N[6a]2)(CC[3]HH)(H)	117.2710	0.330	2	117.2710	0.109	2	116.8568	0.185	11	116.8992	0.189	12	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	116.5230	0.000	1	116.5230	0.000	1	116.8568	0.185	11	116.8992	0.189	12	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	116.8992	0.189	12	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCCH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCCH)2	115.9020	0.119	2	115.9020	0.014	2	116.7992	1.396	6	116.8260	1.169	7	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.3260	0.000	1	116.4180	1.649	2	116.7992	1.396	6	116.8260	1.169	7	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)2	115.5100	0.000	1	116.4180	1.649	2	116.7992	1.396	6	116.8260	1.169	7	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.8040	0.000	1	117.8040	0.000	1	116.7992	1.396	6	116.8260	1.169	7	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]N[6a]2)(CCHH)2	118.3510	0.000	1	118.3510	0.000	1	116.7992	1.396	6	116.8260	1.169	7	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)2	116.9870	0.000	1	116.9870	0.000	1	116.9870	0.000	1	116.8260	1.169	7	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:4:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.4465	0.482	4	114.4465	0.232	4	114.4465	0.232	4	114.4465	0.232	4	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:4:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	N(C[6a]N[6a]2)(CCCH)(H)	117.7970	0.000	1	117.7970	0.000	1	116.2357	1.889	3	116.2357	1.889	3	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:4:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH){2|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	115.2090	0.000	1	115.2090	0.000	1	116.2357	1.889	3	116.2357	1.889	3	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:4:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCHH)(H)	115.7010	0.000	1	115.7010	0.000	1	116.2357	1.889	3	116.2357	1.889	3	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:2:4:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(H)2	119.6277	0.686	3	119.6277	0.471	3	119.6277	0.471	3	119.6277	0.471	3	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(H)2	117.4835	1.831	2	117.8544	0.898	7	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	118.1420	0.648	4	117.8544	0.898	7	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.4460	0.000	1	117.8544	0.898	7	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	118.7110	0.000	1	118.7110	0.000	1	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(H)2	117.1115	0.575	2	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	116.7640	0.559	4	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.1497	0.618	3	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|F<1>}	N(C[6a]N[6a]2)(H)2	117.1760	0.000	1	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.6150	0.000	1	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	117.3200	0.000	1	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.4650	0.567	14	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	117.4443	0.774	3	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	117.3100	0.000	1	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	118.0455	0.118	2	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	115.8990	0.000	1	117.3025	0.386	33	117.4311	0.529	41	117.4311	0.529	41	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	118.2628	0.391	9	118.2628	0.153	9	118.3503	0.178	12	118.4754	0.252	14	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(CCO)(H)	118.3355	0.015	2	118.3355	0.000	2	118.3503	0.178	12	118.4754	0.252	14	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	119.1680	0.000	1	119.1680	0.000	1	118.3503	0.178	12	118.4754	0.252	14	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)2(H)	119.2260	0.062	2	119.2260	0.004	2	119.2260	0.004	2	118.4754	0.252	14	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	116.9095	0.907	2	116.9095	0.823	2	116.9095	0.823	2	116.9095	0.823	2	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:4:4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CCHH)2	118.6470	0.135	3	118.6470	0.018	3	118.6470	0.018	3	118.6470	0.018	3	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:2:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	N(C[6a]N[6a]2)(H)2	117.2843	0.137	3	117.2843	0.019	3	117.2843	0.019	3	117.2843	0.019	3	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS){1|C<2>,1|C<3>}	N(C[6a]N[6a]2)(H)2	119.6590	0.000	1	119.6590	0.000	1	119.6590	0.000	1	119.6590	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:4:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	115.7990	0.000	1	115.7990	0.000	1	115.7990	0.000	1	115.7990	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	117.2230	0.000	1	117.2230	0.000	1	117.2230	0.000	1	117.2230	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:4:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCCH)(H)	117.4905	0.800	4	117.4905	0.639	4	117.3058	0.235	15	117.3058	0.235	15	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:4:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCHH)(H)	117.2489	0.348	9	117.2489	0.121	9	117.3058	0.235	15	117.3058	0.235	15	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:4:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	117.5200	0.000	1	117.5200	0.000	1	117.3058	0.235	15	117.3058	0.235	15	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:4:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(CCHH)(H)	116.8650	0.000	1	116.8650	0.000	1	117.3058	0.235	15	117.3058	0.235	15	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:4:	3:4:4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CH3)2	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	4:3:2:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,2|H<1>,3|C<4>}	N(C[6a]N[6a]2)(H)2	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	4:3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	N(C[6a]N[6a]2)(H)2	119.6930	0.000	1	119.6930	0.000	1	119.6930	0.000	1	119.6930	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(H)2	121.1165	0.202	2	121.1165	0.041	2	121.1165	0.041	2	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.1890	0.000	1	118.4020	0.091	2	118.4020	0.091	2	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.6150	0.000	1	118.4020	0.091	2	118.4020	0.091	2	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.3790	0.000	1	117.3790	0.000	1	117.6709	2.447	7	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.6940	0.000	1	116.6940	0.000	1	117.6709	2.447	7	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	119.2690	0.341	2	117.8103	6.441	3	117.6709	2.447	7	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	114.8930	0.000	1	117.8103	6.441	3	117.6709	2.447	7	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.5090	0.000	1	118.0960	0.341	2	117.6709	2.447	7	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	117.6830	0.000	1	118.0960	0.341	2	117.6709	2.447	7	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	120.0470	0.232	2	120.0470	0.054	2	120.0470	0.054	2	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]N[6a]2)(H)2	120.1720	0.676	2	120.1720	0.457	2	120.8448	0.770	4	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)2(NHH){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]N[6a]2)(H)2	121.5175	0.206	2	121.5175	0.042	2	120.8448	0.770	4	119.1886	3.401	17	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	118.7625	1.990	2	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	118.7625	1.990	2	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:4:1:	N[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	117.9855	0.162	2	117.9855	0.026	2	117.9855	0.026	2	117.9855	0.026	2	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.6210	0.000	1	118.6210	0.000	1	119.1690	0.652	5	119.1438	1.027	10	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.1860	0.000	1	119.1860	0.000	1	119.1690	0.652	5	119.1438	1.027	10	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.5410	0.000	1	120.5410	0.000	1	119.1690	0.652	5	119.1438	1.027	10	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.5590	0.000	1	118.5590	0.000	1	119.1690	0.652	5	119.1438	1.027	10	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|S<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.9380	0.000	1	118.9380	0.000	1	119.1690	0.652	5	119.1438	1.027	10	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|O<1>,2|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.8300	0.000	1	116.8300	0.000	1	116.8300	0.000	1	119.1438	1.027	10	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:3:	3:1:1:	N[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH){1|N<2>,1|O<1>,1|S<2>,2|C<3>}	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.6907	0.163	4	119.6907	0.027	4	119.6907	0.027	4	119.1438	1.027	10	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[5a,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.8625	0.811	2	119.8625	0.658	2	119.8625	0.658	2	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.8280	0.000	1	117.8280	0.000	1	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(H)2	118.9805	0.002	2	118.9805	0.000	2	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	116.2406	0.705	7	116.9462	1.209	12	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.1430	0.600	4	116.9462	1.209	12	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.0980	0.000	1	116.9462	1.209	12	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	116.3700	0.000	1	116.3700	0.000	1	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	115.8000	0.000	1	115.8000	0.000	1	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	118.6200	0.000	1	118.6200	0.000	1	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.5667	0.707	9	118.4584	0.562	10	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	117.4840	0.000	1	118.4584	0.562	10	117.6613	1.496	28	117.8081	1.728	30	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.9540	0.000	1	115.9540	0.000	1	116.3725	0.350	2	116.3725	0.350	2	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	116.7910	0.000	1	116.7910	0.000	1	116.3725	0.350	2	116.3725	0.350	2	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	117.8270	0.000	1	117.8270	0.000	1	117.8270	0.000	1	117.2205	0.736	2	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	116.6140	0.000	1	116.6140	0.000	1	116.6140	0.000	1	117.2205	0.736	2	117.3008	2.185	284	117.3098	2.182	286
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	116.8120	0.000	2	116.8120	0.000	2	116.8820	0.015	3	116.8820	0.015	3	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	117.0220	0.000	1	117.0220	0.000	1	116.8820	0.015	3	116.8820	0.015	3	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]N[6a]2)(CCHH)2	116.6810	0.000	1	116.1280	0.612	2	116.1280	0.612	2	116.1280	0.612	2	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)2	115.5750	0.000	1	116.1280	0.612	2	116.1280	0.612	2	116.1280	0.612	2	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:4:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:4:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH){2|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	118.3160	0.000	1	118.3160	0.000	1	117.2760	2.163	2	117.2760	2.163	2	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:4:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	N(C[6a]N[6a]2)(CCCH)(H)	116.2360	0.000	1	116.2360	0.000	1	117.2760	2.163	2	117.2760	2.163	2	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:1:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.1930	0.000	1	117.1930	0.000	1	117.1930	0.000	1	117.1930	0.000	1	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	116.5630	0.000	1	116.5630	0.000	1	116.5630	0.000	1	116.5630	0.000	1	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	116.1030	0.000	1	116.1030	0.000	1	116.1030	0.000	1	116.1030	0.000	1	116.6823	0.918	15	116.6823	0.918	15
643	217	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)2	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	116.6823	0.918	15	116.6823	0.918	15
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6,6a]	S	3:3:1:	3:3:4:	3:	N[6,6a]-3:N[6a]-3:S-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S)	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH)	S(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	S(C[6a]N[6,6a]N[6a])	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)	118.9650	0.000	1	119.1035	0.038	2	119.1035	0.038	2	119.1035	0.038	2	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	S(C[6a]N[6a]2)	119.2420	0.000	1	119.1035	0.038	2	119.1035	0.038	2	119.1035	0.038	2	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H)	S(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	S(C[6a]C[5,6a]N[6a])	122.9750	0.000	1	122.9750	0.000	1	122.9750	0.000	1	122.1181	0.649	23	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H)	S(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H){1|H<1>,1|N<3>,3|C<3>}	S(C[6a]C[5a,6a]N[6a])	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	122.1181	0.649	23	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H)	S(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	S(C[6a]C[5a,6a]N[6a])	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	122.1181	0.649	23	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	S(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(S){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]N[6a]2)	122.1938	0.741	20	122.1938	0.549	20	122.1938	0.549	20	122.1181	0.649	23	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S)	N[6a](C[6a]C[6a,6a]S)2(C[6a]C[6a]2)	S(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S){1|H<1>,1|S<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]S)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	S(C[6a]C[6a,6a]N[6a])	120.8815	0.211	2	120.8815	0.045	2	120.8815	0.045	2	120.8815	0.045	2	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH)	S(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	S(C[6a]C[6a,6a]N[6a])	122.1700	0.300	2	122.1700	0.090	2	122.1551	0.267	9	121.7286	0.258	52	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH)	S(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	S(C[6a]C[6a,6a]N[6a])	122.6770	0.188	3	122.6770	0.035	3	122.1551	0.267	9	121.7286	0.258	52	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH)	S(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH){3|C<3>}	S(C[6a]C[6a,6a]N[6a])	121.7562	0.417	4	121.7562	0.174	4	122.1551	0.267	9	121.7286	0.258	52	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:4:	3:	N[6,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH)	S(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH){1|C<4>,2|C<3>}	S(C[6a]N[6,6a]N[6a])	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	121.7286	0.258	52	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	S(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(S){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]N[6a]2)	121.4733	0.409	8	121.6134	0.191	42	121.6134	0.191	42	121.7286	0.258	52	121.7541	0.592	79	121.7444	0.592	80
643	217	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	S(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(S){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	S(C[6a]N[6a]2)	121.6464	0.443	34	121.6134	0.191	42	121.6134	0.191	42	121.7286	0.258	52	121.7541	0.592	79	121.7444	0.592	80
643	217	983	0:SP2_SP1_SP2	C[6a,6a]	N[6a,6a]	C	4:3:2:	4:3:3:	3:2:	B[3x6a]-4:N[6a,6a]-3:C-2:	B[3x6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N-2:	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN)	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2)	C(C[6a,6a]N[6a,6a]B[3x6a])(NC[6a])	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN){2|N<3>,7|C<3>}	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2){2|C<4>,2|N<3>,7|C<3>}	C(C[6a,6a]N[6a,6a]B[3x6a])(NC[6a])	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	118.0401	2.836	8
643	217	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC)	116.9460	0.000	1	116.9460	0.000	1	117.3007	0.278	3	117.3007	0.278	3	117.4844	0.427	7	118.0401	2.836	8
643	217	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	117.4780	0.605	2	117.4780	0.366	2	117.3007	0.278	3	117.3007	0.278	3	117.4844	0.427	7	118.0401	2.836	8
643	217	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CC){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC)	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	117.4844	0.427	7	118.0401	2.836	8
643	217	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N)	117.8620	0.000	1	117.8620	0.000	1	117.8470	0.000	2	117.8470	0.000	2	117.4844	0.427	7	118.0401	2.836	8
643	217	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	117.8320	0.000	1	117.8320	0.000	1	117.8470	0.000	2	117.8470	0.000	2	117.4844	0.427	7	118.0401	2.836	8
643	217	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(CPt)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CPt)	118.2990	0.000	1	118.2990	0.000	1	118.2990	0.000	1	118.2990	0.000	1	117.4844	0.427	7	118.0401	2.836	8
643	217	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:N[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(PC[6a]2S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(PC[6a]2S){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){3|C<3>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(S)	110.3660	1.249	2	110.3660	1.559	2	110.3660	1.559	2	110.3660	1.559	2	110.3660	1.559	2	110.3660	1.559	2
643	222	643	0:SP2_SP2_SPD5	C[6a]	As[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	As[5,5]-5:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[5,5]N[5]2O[5]2)(C[6a]C[6a]H)2	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	C[6a](C[6a]As[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[5,5]N[5]2O[5]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]As[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	120.2530	3.176	2	120.2530	10.089	2	120.2530	10.089	2	120.2530	10.089	2	120.2530	10.089	2	120.4821	2.881	8
643	222	643	0:SP2_SP2_SPD5	C[6a]	As[5]	C[6a]	5:3:3:	3:3:3:3:2:	3:3:1:	As[5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,4|C<3>}	120.5585	1.410	6	120.5585	1.987	6	120.5585	1.987	6	120.5585	1.987	6	120.5585	1.987	6	120.4821	2.881	8
643	230	371	0:SP2_SP2_SPD6	C[6a]	S	N[6a]	3:2:6:	3:1:1:1:1:1:	3:3:	C[6a]-3:N[6a]-2:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5)	S(C[6a]C[6a]N[6a])(F)5	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(F)5	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<2>}	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	115.5120	0.077	4	115.5120	0.077	4
643	230	371	0:SP2_SP2_SPD6	C[6a]	S	N[6a]	3:2:6:	3:3:1:1:1:1:	3:3:	C[6a]-3:N[6a]-2:S-6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4){1|C<3>,2|H<1>}	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Br<1>,1|C<3>,1|H<1>}	115.5150	0.293	2	115.5150	0.086	2	115.5150	0.086	2	115.6030	0.066	3	115.5120	0.077	4	115.5120	0.077	4
643	230	371	0:SP2_SP2_SPD6	C[6a]	S	N[6a]	3:2:6:	3:3:1:1:1:1:	3:3:	C[6a]-3:N[6a]-2:S-6:	C[6a]-3:C-3:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4)	S(C[6a]C[6a]N[6a])(CCH)(F)4	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCH)(F)4	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Br<1>,1|C<3>,1|H<1>}	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	115.6030	0.066	3	115.5120	0.077	4	115.5120	0.077	4
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:2:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:N[6a]-2:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5)	S(C[6a]C[6a]N[6a])(F)5	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(F)5	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|I<2>}	118.7100	0.000	1	118.7100	0.000	1	118.7100	0.000	1	118.7100	0.000	1	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:2:6:	3:3:1:1:1:1:	3:3:1:	C[6a]-3:N[6a]-2:S-6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4){1|C<3>,2|H<1>}	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|Br<1>,1|C<3>}	118.8585	0.187	2	118.8585	0.035	2	118.8585	0.035	2	119.0917	0.181	3	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:2:6:	3:3:1:1:1:1:	3:3:1:	C[6a]-3:N[6a]-2:S-6:	C[6a]-3:C-3:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4)	S(C[6a]C[6a]N[6a])(CCH)(F)4	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCH)(F)4	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|Br<1>,1|C<3>}	119.5580	0.000	1	119.5580	0.000	1	119.5580	0.000	1	119.0917	0.181	3	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.6270	0.000	1	118.4143	0.074	3	118.5842	0.165	4	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|H<1>,1|N<3>,3|C<3>}	118.3080	0.284	2	118.4143	0.074	3	118.5842	0.165	4	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	119.0940	0.000	1	119.0940	0.000	1	118.5842	0.165	4	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(SF5){1|C<3>,1|H<1>,1|N<2>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,3|C<3>}	119.0795	0.466	2	119.0795	0.217	2	119.0795	0.217	2	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	119.3100	0.000	1	119.3505	0.030	4	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	119.2850	0.000	1	119.3505	0.030	4	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	119.4035	0.282	2	119.3505	0.030	4	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(SF5){1|C<3>,1|H<1>,1|N<2>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	119.5090	0.501	2	119.5090	0.251	2	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	119.0970	0.092	2	119.1712	0.172	5	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|S<6>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	119.2207	0.575	3	119.1712	0.172	5	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	119.2085	0.227	2	119.2085	0.052	2	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	118.7550	0.000	1	118.7550	0.000	1	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|I<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|H<1>}	119.8280	0.000	1	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|N<2>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	119.6610	0.000	1	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	118.7830	0.000	1	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.5575	1.346	2	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|H<1>}	119.7198	0.329	4	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	119.4977	0.363	6	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	119.5363	0.466	15	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	119.5217	0.596	6	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	119.2771	0.632	20	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.6870	0.154	2	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	118.8770	0.152	4	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.9430	0.000	1	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|Ir<6>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	118.5255	0.166	2	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|Ir<6>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	117.8875	0.568	2	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|Pd<4>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	118.7150	0.000	1	119.3726	0.420	68	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|I<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|H<1>}	118.3280	0.000	1	118.3280	0.000	1	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|Ir<6>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	119.2125	0.351	2	119.4387	0.114	4	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|Ir<6>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	119.6650	0.119	2	119.4387	0.114	4	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|N<2>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	118.1060	0.000	1	118.4375	0.220	2	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	118.7690	0.000	1	118.4375	0.220	2	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]S)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	118.5340	0.486	2	118.5340	0.237	2	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|Pd<4>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	119.1940	0.000	1	119.2508	0.020	5	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(SF5){1|Pd<4>,1|C<3>,1|S<6>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	119.2650	0.160	4	119.2508	0.020	5	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]S)2(H)	C[6a](C[6a]C[6a]H)2(SF5){1|Pd<4>,1|C<3>,1|S<6>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]S)2(H){1|C<3>,2|H<1>}	118.3847	0.255	4	118.5245	0.281	8	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]S)2(H)	C[6a](C[6a]C[6a]H)2(SF5){1|S<6>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]S)2(H){1|C<3>,2|H<1>}	118.6642	0.733	4	118.5245	0.281	8	119.2429	0.399	104	119.2160	0.399	110	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(SF5){1|C<4>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3){1|C<4>,4|C<3>}	116.9420	0.000	1	116.9420	0.000	1	116.9420	0.000	1	119.7020	15.235	2	119.2168	0.521	116	119.2168	0.521	116
643	230	643	0:SP2_SP2_SPD6	C[6a]	S	C[6a]	3:3:6:	3:1:1:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:S-6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(SF5)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]S)(CF3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(SF5){1|C<4>,2|C<3>}	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]S)(CF3){1|C<4>,2|C<3>}	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	119.7020	15.235	2	119.2168	0.521	116	119.2168	0.521	116
643	238	371	0:SP2_SP2_SPD7	C[6a]	C[3]	N[6a]	7:3:2:	3:2:2:1:1:1:1:	3:3:	C[3]-7:C[6a]-3:N[6a]-2:	C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4{1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N){1|C<3>,2|H<2>,6|H<1>}	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1
643	238	643	0:SP2_SP2_SPD7	C[6a]	C[3]	C[6a]	7:3:2:	3:2:2:1:1:1:1:	3:3:1:	C[3]-7:C[6a]-3:N[6a]-2:	C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]C)(H)	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4{1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]C)(H){1|C<3>,2|H<2>,5|H<1>}	121.1750	0.000	1	121.1750	0.000	1	121.1750	0.000	1	121.1750	0.000	1	121.1750	0.000	1	121.1864	1.801	11
643	238	643	0:SP2_SP2_SPD7	C[6a]	C[3x3,3x4]	C[6a]	7:3:3:	6:7:7:5:6:6:3:	3:3:1:	C[3x3,3x4]-7:C[6a]-3:C[6a]-3:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x3,3x4]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,1|H<3>,2|C<4>,7|H<2>}	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[3x3,3x4]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<5>,1|H<1>,1|O<3>,2|C<7>,3|C<6>}	121.1045	0.175	2	121.1045	0.031	2	121.1045	0.031	2	121.1045	0.031	2	121.1045	0.031	2	121.1864	1.801	11
643	238	643	0:SP2_SP2_SPD7	C[6a]	C[3x3]	C[6a]	7:3:3:	7:7:3:2:2:1:1:	3:3:1:	C[3x3]-7:C[6a]-3:C[6a]-3:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[3x3]C[6a])(H)	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<2>,4|H<1>}	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[3x3]C[6a])(H){1|O<1>,2|C<7>,2|H<1>,2|H<2>,4|C<3>}	120.1510	0.000	1	120.1510	0.000	1	120.1510	0.000	1	120.1510	0.000	1	120.9400	1.245	2	121.1864	1.801	11
643	238	643	0:SP2_SP2_SPD7	C[6a]	C[3x3]	C[6a]	7:3:3:	7:7:3:2:2:1:1:	3:3:3:	C[3x3]-7:C[6a]-3:C[6a]-3:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6,6a]O)(COO)	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<2>,4|H<1>}	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6,6a]O)(COO){2|C<3>,2|C<7>,2|H<2>,3|H<1>}	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	120.9400	1.245	2	121.1864	1.801	11
643	238	643	0:SP2_SP2_SPD7	C[6a]	C[4x3,4,4]	C[6a]	7:3:3:	7:8:7:7:5:4:3:	3:3:1:	C[4x3,4,4]-7:C[6a]-3:C[6a]-3:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[6a](C[6a]C[4x3,4,4]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,2|C<4>,2|H<3>,6|H<2>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[4x3,4,4]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|C<5>,1|C<8>,1|H<1>,1|O<2>,3|C<7>}	121.3195	0.962	2	121.3195	0.926	2	121.3195	0.926	2	121.3195	0.926	2	121.3195	0.926	2	121.1864	1.801	11
643	238	643	0:SP2_SP2_SPD7	C[6a]	C[4x3]	C[6a]	7:3:3:	3:3:3:2:2:2:2:	3:3:1:	C[4x3]-7:C[6a]-3:C[6a]-3:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	C[6a](C[6a]C[4x3]C[6a])(C[6a]C[6a]B)(H)	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|C<4>}	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[4x3]C[6a])(C[6a]C[6a]B)(H){1|C<3>,2|F<3>,2|H<1>,4|F<2>}	119.8860	0.000	1	119.8860	0.000	1	119.9275	0.003	2	119.9275	0.003	2	119.9275	0.003	2	121.1864	1.801	11
643	238	643	0:SP2_SP2_SPD7	C[6a]	C[4x3]	C[6a]	7:3:3:	3:3:3:2:2:2:2:	3:3:1:	C[4x3]-7:C[6a]-3:C[6a]-3:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	C[6a](C[6a]C[4x3]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|C<4>}	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[4x3]C[6a])(C[6a]C[6a]C)(H){1|C<3>,2|F<3>,2|H<1>,4|F<2>}	119.9690	0.000	1	119.9690	0.000	1	119.9275	0.003	2	119.9275	0.003	2	119.9275	0.003	2	121.1864	1.801	11
643	238	643	0:SP2_SP2_SPD7	C[6a]	C[6x3]	C[6a]	7:3:3:	8:6:7:7:6:7:3:	3:3:1:	C[6x3]-7:C[6a]-3:C[6a]-3:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[6a](C[6a]C[6x3]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2{14|H<1>,1|C<3>,1|H<3>,5|H<2>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6x3]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<8>,1|H<1>,2|C<6>,3|C<7>}	122.6460	2.864	2	122.6460	8.201	2	122.6460	8.201	2	122.6460	8.201	2	122.6460	8.201	2	121.1864	1.801	11
643	242	643	0:SP2_SP2_SPD5	C[6a]	Ge[3x6]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	Ge[3x6]-5:C[6a]-3:C[6a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](C[6a]Ge[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](Ge[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	C[6a](C[6a]Ge[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	120.6020	1.318	2	120.6020	1.737	2	120.6020	1.737	2	120.6020	1.737	2	120.6020	1.737	2	120.6020	1.737	2
643	246	371	0:SP2_SP2_SP3	C[6a]	P[5]	N[6a]	3:2:3:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:P[5]-3:	C[6a]-3:P[5]-3:P[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2)	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]C[5])2	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2){2|C<4>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]C[5])2{5|H<1>,6|C<3>}	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	118.3490	0.000	1	118.3490	0.000	1	115.1715	7.447	6	115.1715	7.447	6	115.1715	7.447	6	115.1715	7.447	6
643	246	371	0:SP2_SP2_SP3	C[6a]	P[5]	N[6a]	3:2:3:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:P[5]-3:	C[6a]-3:P[5]-3:P[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2)	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2){2|H<1>,2|P<3>,3|C<3>}	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2{1|H<1>,2|N<2>,6|C<3>}	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	114.5360	2.506	5	114.5360	6.280	5	115.1715	7.447	6	115.1715	7.447	6	115.1715	7.447	6	115.1715	7.447	6
643	246	643	0:SP2_SP2_SP3	C[6,6a]	P[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](P[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6a](C[6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(H)	C[6,6a](P[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	P[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8055	2.296	2	120.8055	5.272	2	120.8055	5.272	2	120.8055	5.272	2	120.8055	5.272	2	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6,6a]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]2)	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]2){2|C<4>,2|H<1>,5|C<3>}	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){1|O<2>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,4|C<3>}	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:P[5]-3:	C[6a]-3:P[5]-3:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2)	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]C[5])2	C[6a](C[6a]N[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2){2|C<4>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]C[5])2{5|H<1>,6|C<3>}	C[6a](C[6a]N[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|P<3>}	117.8560	0.000	1	117.8560	0.000	1	121.6897	8.823	6	121.6897	8.823	6	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:P[5]-3:	C[6a]-3:P[5]-3:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2)	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2	C[6a](C[6a]N[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2){2|H<1>,2|P<3>,3|C<3>}	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2{1|H<1>,2|N<2>,6|C<3>}	C[6a](C[6a]N[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|P<3>}	122.4564	2.573	5	122.4564	6.620	5	121.6897	8.823	6	121.6897	8.823	6	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(P[5]O[5]2)	P[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a]C[5a,6a]P[5])(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(P[5]O[5]2){1|H<1>,3|C<3>,3|C<4>}	P[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2{1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5a,6a]P[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	120.0985	0.993	2	120.0985	0.987	2	120.0985	0.987	2	120.0985	0.987	2	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	P[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](P[5]C[5]P[5])(C[6a]C[6a]C)2	P[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5])	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3)	C[6a](P[5]C[5]P[5])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3){1|P<2>,2|C<3>,2|C<4>}	120.1065	3.669	2	120.1065	13.463	2	120.1065	13.463	2	120.1065	13.463	2	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5,5]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5,5]2)	P[5](C[5,5]C[5,5]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5,5]2){2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])2(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.8845	5.499	2	120.8845	30.241	2	120.8845	30.241	2	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5560	2.884	2	120.7258	2.221	6	120.6282	4.839	32	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){2|H<1>,5|C<3>}	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.8107	0.949	4	120.7258	2.221	6	120.6282	4.839	32	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]C[5,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){2|H<1>,5|C<3>}	P[5](C[5]C[5,6]C[5a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,2|S<2>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5365	3.365	2	120.5365	11.324	2	120.6282	4.839	32	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){2|H<1>,5|C<3>}	P[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3063	0.780	4	120.3063	0.608	4	120.6282	4.839	32	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	P[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5120	3.912	2	120.5120	15.302	2	120.6282	4.839	32	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]C[6,6]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){1|P<3>,2|H<1>,4|C<3>}	P[5](C[5]C[6,6]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5247	3.638	4	120.5247	13.239	4	120.6282	4.839	32	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]C[6a]C[5])(C[5]C[6]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){1|P<3>,2|H<1>,4|C<3>}	P[5](C[5]C[6a]C[5])(C[5]C[6]P[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.8516	2.870	8	120.8516	8.238	8	120.6282	4.839	32	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){2|H<1>,5|C<3>}	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5858	1.555	6	120.5858	2.419	6	120.6282	4.839	32	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){3|H<1>,4|C<3>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.2755	2.368	2	120.2755	5.608	2	120.2755	5.608	2	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){3|H<1>,4|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5952	1.818	4	120.5952	3.306	4	120.5405	5.648	8	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){1|C<4>,1|P<5>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C){1|Al<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.6565	5.103	2	120.6565	26.043	2	120.5405	5.648	8	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){3|C<3>,4|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3150	1.853	2	120.3150	3.432	2	120.5405	5.648	8	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(P[5]N[5]2)	P[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(P[5]N[5]2){2|H<1>,3|C<3>,4|C<4>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	120.7870	0.000	1	120.7870	0.000	1	120.7870	0.000	1	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-3:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]C[5])(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	P[5](P[5]C[6a]C[5])(P[5]C[6a]P[5])(C[6a]C[6a]2){1|Os<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<3>}	120.9622	3.991	4	120.9622	15.928	4	120.6938	20.706	24	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-3:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|P<3>,1|P<4>,2|H<1>,3|C<3>}	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<3>}	120.4600	6.098	4	120.5894	26.143	16	120.6938	20.706	24	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-3:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|P<3>,1|P<4>,2|H<1>,3|C<3>}	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<3>}	120.7632	5.107	4	120.5894	26.143	16	120.6938	20.706	24	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-3:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|P<3>,1|P<4>,2|H<1>,3|C<3>}	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<3>}	120.4290	5.085	4	120.5894	26.143	16	120.6938	20.706	24	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-3:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){2|H<1>,2|P<4>,3|C<3>}	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){2|B<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<3>}	120.7052	6.440	4	120.5894	26.143	16	120.6938	20.706	24	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-3:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]Ga[5,5]C[6a])(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|Ga<4>,1|P<3>,2|H<1>,3|C<3>}	P[5](P[5]Ga[5,5]C[6a])(P[5]C[6a]P[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<3>}	120.8430	3.452	4	120.8430	11.914	4	120.6938	20.706	24	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(P[5]C[5,6a]2)(C[6a]C[6a]C)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(P[5]C[5,6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	127.7810	0.000	1	127.7810	0.000	1	127.7810	0.000	1	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.4070	3.490	2	120.4070	12.182	2	120.4070	12.182	2	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](P[5]C[5,5a]2)(C[6a]C[6a]F)2	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F)	C[6a](P[5]C[5,5a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2){2|F<1>,2|H<1>,2|S<2>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	121.9755	7.616	2	121.9755	58.007	2	121.9755	58.007	2	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5,6a]2)(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5425	5.156	2	120.9835	13.281	4	120.9835	13.281	4	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5,6a]2)(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.4245	3.533	2	120.9835	13.281	4	120.9835	13.281	4	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Br<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.2185	3.863	2	120.2185	14.922	2	120.2185	14.922	2	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5,6a]N[5])(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8790	5.112	2	120.8790	26.136	2	120.8790	26.136	2	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]N[5]P[5])(C[6a]C[6a]H)2	P[5](N[5]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]N[5]P[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	P[5](N[5]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<3>,2|H<1>}	120.8195	5.740	2	120.8195	32.943	2	120.8195	32.943	2	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](P[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	P[5](P[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	120.6550	2.792	2	120.6550	7.793	2	120.6550	7.793	2	120.7652	11.157	86	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(P[5]N[5]2)	P[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(P[5]N[5]2){2|H<1>,3|C<3>,4|C<4>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	118.3120	10.867	2	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(P[5]C[5,6a]2)(C[6a]C[6a]C)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]Cl)(P[5]C[5,6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(COO){1|Cl<1>,1|H<1>,3|C<3>}	115.9810	0.000	1	115.9810	0.000	1	115.9810	0.000	1	118.3120	10.867	2	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(P[5]C[5]2){1|C<4>,1|P<5>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C){1|Al<5>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.4945	5.752	2	120.4945	33.089	2	120.4945	33.089	2	119.8822	42.592	4	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]C)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3)	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3){2|C<4>,3|C<3>}	119.2700	9.653	2	119.2700	93.189	2	119.2700	93.189	2	119.8822	42.592	4	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(P[5]P[5]CC)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){2|C<3>,2|C<4>,2|H<1>,2|P<3>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(P[5]P[5]CC){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	120.5598	6.863	4	120.5598	47.099	4	120.5598	47.099	4	120.6779	27.792	12	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|P<3>,2|C<3>,4|H<1>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.6225	4.940	4	120.6225	24.405	4	120.7370	23.476	8	120.6779	27.792	12	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]P[5]HH)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,4|H<1>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]P[5]HH){1|Os<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.8515	5.508	4	120.8515	30.337	4	120.7370	23.476	8	120.6779	27.792	12	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]2)	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]2){2|C<4>,2|H<1>,5|C<3>}	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){1|O<2>,1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	121.0616	10.592	17	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|P<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	122.8415	0.220	4	122.8415	0.048	4	122.8415	0.048	4	121.0616	10.592	17	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5,6a]P[5])(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5,6a]P[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	119.9275	6.230	2	119.9275	38.817	2	119.9275	38.817	2	121.0616	10.592	17	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<3>,1|P<4>,4|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){1|Fe<5>,1|P<3>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.8555	7.530	2	120.7602	17.125	6	120.7926	12.208	10	121.0616	10.592	17	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|P<3>,4|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){2|P<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.7125	3.104	4	120.7602	17.125	6	120.7926	12.208	10	121.0616	10.592	17	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|P<3>,4|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.8413	2.842	4	120.8413	8.076	4	120.7926	12.208	10	121.0616	10.592	17	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	P[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	P[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|P<3>,2|H<1>,5|C<3>}	C[6a](P[5]C[5,6a]C[5])(C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	118.0100	0.638	4	118.0100	0.407	4	118.0100	0.407	4	118.0100	0.407	4	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(P[5]C[5]2){3|H<1>,4|C<3>,4|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P[5])(H){2|C<4>,3|C<3>}	121.8520	0.000	1	121.8520	0.000	1	123.1447	2.129	3	123.1447	2.129	3	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	123.7910	1.324	2	123.7910	1.752	2	123.1447	2.129	3	123.1447	2.129	3	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(P[5]C[5]2){3|H<1>,4|C<3>,4|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5]){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	120.2070	0.817	3	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(P[5]C[5]2){6|H<1>,7|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	120.5910	0.865	2	120.5910	0.749	2	120.5910	0.749	2	120.2070	0.817	3	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)2(P[5]C[5]2){3|C<3>,6|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3){1|C<3>,4|C<4>}	121.0955	0.097	2	121.0955	0.009	2	121.0955	0.009	2	119.4958	3.467	4	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2O){1|C<3>,3|H<1>,7|C<4>}	117.8960	0.395	2	117.8960	0.156	2	117.8960	0.156	2	119.4958	3.467	4	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]P[5]S[5])(C[6a]C[6a]H)2	P[5](P[5]C[5,5]C[6a]S)(C[6a]C[6a]2)(S[5]C[5,5])	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]P[5]S[5])(C[6a]C[6a]H)2{1|S<1>,2|C<3>,2|C<4>,2|H<1>}	P[5](P[5]C[5,5]C[6a]S)(C[6a]C[6a]2)(S[5]C[5,5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	120.2970	3.817	2	120.2970	14.569	2	120.2970	14.569	2	120.2970	14.569	2	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]2P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){2|H<1>,2|P<3>,4|C<3>}	P[5](P[5]C[6a]2P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	120.3365	5.117	4	120.3365	26.184	4	120.6393	21.995	24	120.7610	21.955	32	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]C[5]Os)(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|Os<4>,1|C<4>,1|P<3>,2|H<1>,3|C<3>}	P[5](P[5]C[6a]C[5]Os)(P[5]C[6a]P[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	121.7188	4.915	4	121.7188	24.156	4	120.6393	21.995	24	120.7610	21.955	32	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]P[5]B)(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|B<4>,1|P<3>,1|P<4>,2|H<1>,3|C<3>}	P[5](P[5]C[6a]P[5]B)(P[5]C[6a]P[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	120.3474	5.301	8	120.3474	28.099	8	120.6393	21.995	24	120.7610	21.955	32	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]P[5]C)(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|C<4>,2|H<1>,2|P<3>,3|C<3>}	P[5](P[5]C[6a]P[5]C)(P[5]C[6a]P[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	120.1557	5.815	4	120.1557	33.810	4	120.6393	21.995	24	120.7610	21.955	32	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]P[5]Rh)(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|Rh<4>,1|P<3>,1|P<4>,2|H<1>,3|C<3>}	P[5](P[5]C[6a]P[5]Rh)(P[5]C[6a]P[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	120.9300	4.073	4	120.9300	16.588	4	120.6393	21.995	24	120.7610	21.955	32	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]Ga[5,5]P[5])(C[6a]C[6a]H)2	P[5](Ga[5,5]N[5]2P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]Ga[5,5]P[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>,2|P<3>}	P[5](Ga[5,5]N[5]2P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|P<3>,2|H<1>}	121.0132	3.144	4	121.0132	9.883	4	121.0132	9.883	4	120.7610	21.955	32	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](P[5]C[6a]P[5]Os)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2{1|Os<4>,1|P<3>,2|H<1>,4|C<3>}	P[5](P[5]C[6a]P[5]Os)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	121.2390	6.917	4	121.2390	47.846	4	121.2390	47.846	4	120.7610	21.955	32	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](P[5]C[6a]P[5]Os)(C[6a]C[6a]2)(C[5]P[5]HH)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5]P[5])(C[6a]C[6a]H)2{1|Os<4>,1|P<3>,1|P<4>,2|C<3>,4|H<1>}	P[5](P[5]C[6a]P[5]Os)(C[6a]C[6a]2)(C[5]P[5]HH){1|Os<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.8810	5.863	2	120.8810	34.379	2	120.8810	34.379	2	120.8810	34.379	2	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2)	P[5](C[5]N[5,6a]C[6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2){2|N<3>,3|C<3>,4|H<1>}	P[5](C[5]N[5,6a]C[6a]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8830	8.350	2	120.8830	69.714	2	120.8830	69.714	2	120.7698	26.986	16	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]C[5]Os)(P[5]C[6a]P[5]Os)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){2|Os<3>,1|C<4>,1|P<4>,2|H<1>,3|C<3>}	P[5](P[5]C[6a]C[5]Os)(P[5]C[6a]P[5]Os)(C[6a]C[6a]2){1|Os<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<4>}	121.1975	1.757	2	121.4710	47.061	4	120.7536	25.773	14	120.7698	26.986	16	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]C[5]Os)(P[5]C[6a]P[5]Os)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){2|Os<4>,1|C<4>,1|P<3>,2|H<1>,3|C<3>}	P[5](P[5]C[6a]C[5]Os)(P[5]C[6a]P[5]Os)(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<4>}	121.7445	11.739	2	121.4710	47.061	4	120.7536	25.773	14	120.7698	26.986	16	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]C[5]Os)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){2|Os<4>,2|H<1>,5|C<3>}	P[5](P[5]C[6a]C[5]Os)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<4>}	120.2120	5.423	6	120.2120	29.404	6	120.7536	25.773	14	120.7698	26.986	16	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]C[5]W)(P[5]C[6a]N[5]W)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|N<2>,2|H<1>,2|W<6>,4|C<3>}	P[5](P[5]C[6a]C[5]W)(P[5]C[6a]N[5]W)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<4>}	121.0755	6.382	2	121.0755	40.725	2	120.7536	25.773	14	120.7698	26.986	16	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:P[5]-3:	P[5]-4:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2)	P[5](P[5]C[6a]P[5]Rh)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2){1|Rh<4>,2|H<1>,2|P<3>,3|C<3>}	P[5](P[5]C[6a]P[5]Rh)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<4>}	120.6215	1.436	2	120.6215	2.062	2	120.7536	25.773	14	120.7698	26.986	16	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	6:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5x3,6x5,20x6]N[5])(C[6a]C[6a]H)2	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5x3,6x5,20x6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(N[5]C[5]C){1|N<2>,2|C<3>,5|B<6>,6|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|N<3>,2|H<1>}	120.3095	7.418	2	120.3095	55.031	2	120.3095	55.031	2	120.3095	55.031	2	120.6952	15.360	201	120.7233	15.161	205
643	246	643	0:SP2_SP2_SP3	C[6a]	P[5]	C[6a]	3:3:3:	6:6:3:	3:3:1:	P[5]-3:C[6a]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:C[5x3,6x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5x3,6x5,20x6]2)(C[6a]C[6a]H)2	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5x3,6x5,20x6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<6>,2|H<1>,8|B<6>}	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(C[6a]C[6a]2){10|B<6>,10|H<1>,2|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<6>,2|H<1>}	120.6625	12.886	2	120.6625	166.039	2	120.6625	166.039	2	120.6625	166.039	2	120.6952	15.360	201	120.7233	15.161	205
643	246	643	6:SP2_SP2_SP3	C[6,6a]	P[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	P[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](P[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](P[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1
643	246	727	0:SP2_SP2_SP3	C[6a]	P[5]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(P[5]O[5]2)	P[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(P[5]O[5]2){1|H<1>,3|C<3>,3|C<4>}	P[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2{1|N<3>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H){2|H<1>,2|O<2>,3|C<3>}	123.2695	1.398	2	123.2695	1.954	2	123.2695	1.954	2	123.2695	1.954	2	123.2695	1.954	2	123.2695	1.954	2
643	254	643	0:SP2_SP2_SP3	C[6,6a]	Ge[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Ge[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](Ge[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]C)(H)	C[6,6a](Ge[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	126.2675	0.383	2	126.2675	0.146	2	126.2675	0.146	2	126.2675	0.146	2	124.5482	3.990	4	121.3364	6.684	27
643	254	643	0:SP2_SP2_SP3	C[6,6a]	Ge[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	Ge[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](Ge[6]C[6,6a]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	C[6,6a](Ge[6]C[6,6a]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ge<4>,4|H<1>,7|C<3>}	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(C[6a]C[6a]2){10|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.8290	0.040	2	122.8290	0.002	2	122.8290	0.002	2	122.8290	0.002	2	124.5482	3.990	4	121.3364	6.684	27
643	254	643	0:SP2_SP2_SP3	C[6a]	Ge[3x6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	Ge[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](Ge[3x6]C[3x6]C[6,6]2)(C[6a]C[6a]2)2	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6a]Ge[3x6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](Ge[3x6]C[3x6]C[6,6]2)(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|Ge<4>,2|H<1>,5|C<4>,6|C<3>}	C[6a](C[6a]Ge[3x6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,6|C<3>}	121.1945	3.014	2	121.1945	9.087	2	121.1945	9.087	2	121.1945	9.087	2	121.1945	9.087	2	121.3364	6.684	27
643	254	643	0:SP2_SP2_SP3	C[6a]	Ge[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:4:	Ge[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[6]C[6]O[6]C)(C[6a]C[6a]C)2	Ge[6](C[6a]C[6a]2)(C[6]C[6]P)(O[6]C[6])(CC3)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CCCH)	C[6a](Ge[6]C[6]O[6]C)(C[6a]C[6a]C)2{1|C<4>,1|P<2>,2|C<3>,2|H<1>}	Ge[6](C[6a]C[6a]2)(C[6]C[6]P)(O[6]C[6])(CC3){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,3|C<4>}	120.6710	1.802	2	120.6710	3.246	2	120.6710	3.246	2	120.6710	3.246	2	120.7381	5.195	21	121.3364	6.684	27
643	254	643	0:SP2_SP2_SP3	C[6a]	Ge[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	Ge[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[6]C[6]2O)(C[6a]C[6a]C)2	Ge[6](C[6a]C[6a]2)(C[6]C[6]C)2(OH)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	C[6a](Ge[6]C[6]2O)(C[6a]C[6a]C)2{2|C<4>,2|H<1>,3|C<3>}	Ge[6](C[6a]C[6a]2)(C[6]C[6]C)2(OH){1|Ge<4>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	120.9890	2.775	2	120.9890	7.699	2	120.9890	7.699	2	120.9890	7.699	2	120.7381	5.195	21	121.3364	6.684	27
643	254	643	0:SP2_SP2_SP3	C[6a]	Ge[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Ge[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(H)	C[6a](Ge[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8035	0.661	4	120.8035	0.437	4	120.8035	0.437	4	120.8035	0.437	4	120.7381	5.195	21	121.3364	6.684	27
643	254	643	0:SP2_SP2_SP3	C[6a]	Ge[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[6]C[6,6a]2C[6])(C[6a]C[6a]C)2	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	C[6a](Ge[6]C[6,6a]2C[6])(C[6a]C[6a]C)2{3|H<1>,7|C<3>}	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(C[6a]C[6a]2){10|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){3|C<3>,3|C<4>}	121.3460	4.962	2	121.3460	24.626	2	121.3460	24.626	2	121.3460	24.626	2	120.7381	5.195	21	121.3364	6.684	27
643	254	643	0:SP2_SP2_SP3	C[6a]	Ge[6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	Ge[6]-4:C[6a]-3:C[6a]-3:	Ge[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[6]C[6a]Ge[6]O[6])(C[6a]C[6a]H)2	Ge[6](Ge[6]C[6a]2O[6])(C[6a]C[6a]2)2(O[6]Ge[6])	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(H)	C[6a](Ge[6]C[6a]Ge[6]O[6])(C[6a]C[6a]H)2{1|Ge<4>,1|O<2>,2|H<1>,5|C<3>}	Ge[6](Ge[6]C[6a]2O[6])(C[6a]C[6a]2)2(O[6]Ge[6]){10|C<3>,1|Ge<4>,4|H<1>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5620	0.615	7	120.5620	0.378	7	120.5620	0.378	7	120.5620	0.378	7	120.7381	5.195	21	121.3364	6.684	27
643	254	643	0:SP2_SP2_SP3	C[6a]	Ge[6]	C[6a]	4:3:3:	4:3:3:2:	3:3:4:	Ge[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[6]C[5,6]C[6a]O[6])(C[6a]C[6a]C)2	Ge[6](C[5,6]C[5,6a]2C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CH3)	C[6a](Ge[6]C[5,6]C[6a]O[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,6|C<3>}	Ge[6](C[5,6]C[5,6a]2C[6])(C[6a]C[6a]2)2(O[6]C[6]){10|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	120.5853	4.603	4	120.5853	21.184	4	120.5853	21.184	4	120.5853	21.184	4	120.7381	5.195	21	121.3364	6.684	27
643	254	643	6:SP2_SP2_SP3	C[6,6a]	Ge[6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	Ge[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](Ge[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](Ge[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	114.8530	0.410	2	114.8530	0.168	2	114.8530	0.168	2	114.8530	0.168	2	116.3960	3.231	4	116.3960	3.231	4
643	254	643	6:SP2_SP2_SP3	C[6,6a]	Ge[6]	C[6,6a]	4:3:3:	3:3:4:3:	4:3:3:	Ge[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](Ge[6]C[6,6a]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(C[6a]C[6a]2)	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)	C[6,6a](Ge[6]C[6,6a]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ge<4>,4|H<1>,7|C<3>}	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(C[6a]C[6a]2){10|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	117.9390	0.038	2	117.9390	0.001	2	117.9390	0.001	2	117.9390	0.001	2	116.3960	3.231	4	116.3960	3.231	4
643	270	643	0:SP2_SP2_SPD5	C[6a]	C	C[6a]	3:3:5:	3:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-5:	C[6a]-3:H-1:H-1:O-1:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CHHOO)	C(C[6a]C[6a]2)(H)2(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CHHOO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(H)2(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.6055	1.040	2	119.6055	1.082	2	119.6055	1.082	2	119.6055	1.082	2	120.3148	1.106	4	120.3148	1.106	4
643	270	643	0:SP2_SP2_SPD5	C[6a]	C	C[6a]	3:3:5:	3:4:4:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-5:	C[6a]-3:P-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CCHOP)	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHOP){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.6900	0.000	1	120.6900	0.000	1	121.0240	0.223	2	121.0240	0.223	2	120.3148	1.106	4	120.3148	1.106	4
643	270	643	0:SP2_SP2_SPD5	C[6a]	C	C[6a]	3:3:5:	3:4:4:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-5:	C[6a]-3:P-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CCHOP)	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCHOP){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	121.3580	0.000	1	121.3580	0.000	1	121.0240	0.223	2	121.0240	0.223	2	120.3148	1.106	4	120.3148	1.106	4
643	278	643	0:SP2_SP2_SP2	C[6,6a]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	Ge[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](Ge[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	C[6,6a](Ge[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	123.9060	0.438	2	123.9060	0.192	2	123.9060	0.192	2	123.9060	0.192	2	123.9060	0.192	2	120.6540	3.386	10
643	278	643	0:SP2_SP2_SP2	C[6a]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:Ge[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(Ge[6]C[6]2)	Ge[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	C[6a](C[6a]C[6a]C)2(Ge[6]C[6]2){2|H<1>,5|C<3>}	Ge[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|Ge<3>,2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){2|C<4>,3|C<3>}	119.5505	1.586	2	119.5505	2.516	2	119.5505	2.516	2	119.8410	0.550	8	119.8410	0.550	8	120.6540	3.386	10
643	278	643	0:SP2_SP2_SP2	C[6a]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(Ge[6]C[6]2)	Ge[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	C[6a](C[6a]C[6a]C)2(Ge[6]C[6]2){3|C<3>,4|H<1>}	Ge[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){2|C<4>,3|C<3>}	119.6540	0.602	2	119.6540	0.363	2	119.6540	0.363	2	119.8410	0.550	8	119.8410	0.550	8	120.6540	3.386	10
643	278	643	0:SP2_SP2_SP2	C[6a]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Ge[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[6]C[6,6a]2)(C[6a]C[6a]C)2	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	C[6a](Ge[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){2|C<4>,3|C<3>}	119.9105	0.101	2	119.9105	0.010	2	119.9105	0.010	2	119.8410	0.550	8	119.8410	0.550	8	120.6540	3.386	10
643	278	643	0:SP2_SP2_SP2	C[6a]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Ge[6]-3:C[6a]-3:C[6a]-3:	Ge[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[6]Ge[6]C[6])(C[6a]C[6a]C)2	Ge[6](Ge[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	C[6a](Ge[6]Ge[6]C[6])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	Ge[6](Ge[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){1|Ge<3>,2|C<3>,2|C<4>}	120.2490	0.614	2	120.2490	0.377	2	120.2490	0.377	2	119.8410	0.550	8	119.8410	0.550	8	120.6540	3.386	10
643	278	643	6:SP2_SP2_SP2	C[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](Ge[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](Ge[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	Ge[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.1220	0.059	2	117.1220	0.004	2	117.1220	0.004	2	117.1220	0.004	2	117.1220	0.004	2	117.1220	0.004	2
643	282	643	0:SP2_SP2_SP2	C[6a]	As[6,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	As[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[6,6]N[6,6]2)(C[6a]C[6a]H)2	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]As[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[6,6]N[6,6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|P<3>}	As[6,6](N[6,6]P[4,6,6]C)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]As[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	120.1975	4.936	2	120.1975	24.367	2	120.1975	24.367	2	120.1975	24.367	2	120.1975	24.367	2	120.1975	24.367	2
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6]){4|C<3>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	113.2252	2.231	6	113.2252	4.976	6	113.2252	4.976	6	114.2168	5.238	15	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6]){1|Cl<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,2|N<2>}	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.2168	5.238	15	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6]){1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S){1|C<3>,1|N<2>,2|S<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	116.2984	1.292	5	116.2984	1.670	5	116.2984	1.670	5	114.2168	5.238	15	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:3:	3:3:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5])	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5]){1|N<3>,2|C<3>,2|C<4>}	114.9570	0.000	1	114.9570	0.000	1	112.7437	3.846	3	114.2168	5.238	15	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:3:	3:3:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a])	S[6](C[6,6a]C[6,6a]N[6a])2	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])2{1|S<2>,2|C<3>,2|N<2>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	111.6370	0.585	2	111.6370	0.343	2	112.7437	3.846	3	114.2168	5.238	15	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:4:	3:3:	C[5a,6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6])	S[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	S[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	120.8490	0.000	1	120.8490	0.000	1	120.8490	0.000	1	114.6569	7.627	8	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:4:	3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	114.5780	0.000	1	114.5780	0.000	1	114.5780	0.000	1	114.6569	7.627	8	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:4:	3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H){6|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	114.6170	0.000	1	114.6170	0.000	1	114.6170	0.000	1	114.6569	7.627	8	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:4:	3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,2|C<4>,3|C<3>}	112.6720	1.218	2	113.0247	1.392	4	113.0247	1.392	4	114.6569	7.627	8	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:4:	3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	112.3300	0.000	1	113.0247	1.392	4	113.0247	1.392	4	114.6569	7.627	8	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:4:	3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	114.4250	0.000	1	113.0247	1.392	4	113.0247	1.392	4	114.6569	7.627	8	114.3699	5.806	23	114.3699	5.806	23
643	286	371	0:SP2_SP2_SP2	C[6,6a]	S[6]	N[6a]	3:2:2:	3:4:	3:3:	N[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	S[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CC)	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|O<1>,2|C<3>,4|C<4>}	S[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CC){1|H<1>,3|C<3>}	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C){1|C<4>,3|C<3>}	115.1120	0.000	1	115.1120	0.000	1	115.1120	0.000	1	114.6569	7.627	8	114.3699	5.806	23	114.3699	5.806	23
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]S[6])(C[6]C[6,6]O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(S[6]C[6,6a]){1|C<4>,1|O<1>,6|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){1|C<4>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]S[6])(C[6]C[6,6]O){1|N<3>,7|C<3>}	119.3130	0.000	1	119.3130	0.000	1	119.3130	0.000	1	119.3130	0.000	1	119.3130	0.000	1	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[3x6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]){1|H<1>,6|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,5|C<3>}	114.1795	0.207	2	114.1795	0.043	2	114.1795	0.043	2	115.9903	9.859	3	116.0244	5.657	7	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6a,6a](C[6,6a]C[6,6a]S[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a]){1|N<2>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])2{1|S<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]S[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	119.6120	0.000	1	119.6120	0.000	1	119.6120	0.000	1	115.9903	9.859	3	116.0244	5.657	7	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6]C[6])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6,6a]C[6,6a]S[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6]C[6]){2|H<1>,4|C<3>,4|C<4>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]S[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	114.4375	0.103	2	114.4375	0.011	2	114.4375	0.011	2	116.0500	4.739	4	116.0244	5.657	7	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6a]S[6])(S[6]C[6])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6a]S[6])(S[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	117.6625	1.951	2	117.6625	3.806	2	117.6625	3.806	2	116.0500	4.739	4	116.0244	5.657	7	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)(S[6]S[6]){1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|H<1>,1|S<2>,2|C<3>}	119.5730	0.000	1	119.5730	0.000	1	119.5730	0.000	1	119.5730	0.000	1	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H){1|N<3>,1|S<2>,3|N<2>}	121.3880	0.000	2	121.3880	0.000	2	121.3880	0.000	2	120.7015	3.167	27	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	120.0110	0.000	1	121.4633	1.081	19	121.4633	1.081	19	120.7015	3.167	27	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	122.2755	1.273	4	121.4633	1.081	19	121.4633	1.081	19	120.7015	3.167	27	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.3349	0.860	14	121.4633	1.081	19	121.4633	1.081	19	120.7015	3.167	27	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]O[6])	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]O[6]){1|C<3>,2|C<4>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	120.7015	3.167	27	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	119.1310	0.000	1	119.1310	0.000	1	118.1870	2.148	5	120.7015	3.167	27	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6]){1|S<2>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	118.2685	0.491	2	118.2685	0.242	2	118.1870	2.148	5	120.7015	3.167	27	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	117.6335	2.614	2	117.6335	6.834	2	118.1870	2.148	5	120.7015	3.167	27	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H){1|N<3>,3|C<3>}	119.0275	0.227	2	119.0275	0.052	2	119.3000	0.450	4	119.3000	0.450	4	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H)	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a]){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H){1|S<2>,3|C<3>}	118.8650	0.000	1	118.8650	0.000	1	119.3000	0.450	4	119.3000	0.450	4	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>}	120.2800	0.000	1	120.2800	0.000	1	119.3000	0.450	4	119.3000	0.450	4	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:2:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6]){1|N<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,2|N<3>}	123.3700	0.000	1	123.3700	0.000	1	123.3700	0.000	1	123.3700	0.000	1	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	116.8465	1.237	2	116.8465	1.530	2	117.7377	2.705	29	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.0390	0.000	1	119.7047	1.564	3	117.7377	2.705	29	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.3210	0.000	1	119.7047	1.564	3	117.7377	2.705	29	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.7540	0.000	1	119.7047	1.564	3	117.7377	2.705	29	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	117.8320	0.098	2	117.5660	2.486	24	117.7377	2.705	29	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	115.3127	0.821	6	117.5660	2.486	24	117.7377	2.705	29	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	119.3088	0.312	6	117.5660	2.486	24	117.7377	2.705	29	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	117.8192	0.653	10	117.5660	2.486	24	117.7377	2.705	29	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a,6a]C[3x6a]C[6a])(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){6|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a,6a]C[3x6a]C[6a])(H){1|H<1>,5|C<3>}	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a,6a]H)(H){4|C<3>}	116.7730	0.520	3	116.7730	0.271	3	115.3958	2.786	9	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a,6a]H)(H){4|C<3>}	112.7330	0.115	2	112.7330	0.013	2	115.3958	2.786	9	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.0060	0.412	3	115.6942	0.502	4	115.3958	2.786	9	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	114.7590	0.000	1	115.6942	0.502	4	115.3958	2.786	9	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]P[6]S[6])	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6]){1|H<1>,1|P<3>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]P[6]S[6]){1|H<1>,2|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	112.6625	0.141	2	112.6625	0.020	2	113.1705	0.746	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]S[6]N)	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]S[6]N){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	113.6785	1.090	2	113.6785	1.187	2	113.1705	0.746	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O)	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]S[6]){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,2|C<3>}	113.5425	0.122	4	113.5425	0.015	4	113.5425	0.015	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){3|C<3>,3|H<1>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	116.5290	0.000	1	116.5290	0.000	1	115.9627	2.448	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(H){1|H<1>,3|C<3>}	115.1720	0.000	1	115.1720	0.000	1	115.9627	2.448	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.8600	0.000	1	116.0750	6.372	2	115.9627	2.448	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	114.2900	0.000	1	116.0750	6.372	2	115.9627	2.448	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]){1|H<1>,2|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	116.9905	0.775	6	116.9905	0.601	6	116.9905	0.601	6	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,2|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	115.0100	0.034	2	115.0100	0.001	2	115.4922	0.350	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5a,6]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	115.9745	0.344	2	115.9745	0.119	2	115.4922	0.350	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.0710	0.560	2	117.0710	0.314	2	117.4910	0.417	5	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|Cl<1>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	117.0570	0.000	1	117.0570	0.000	1	117.4910	0.417	5	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.1390	0.000	1	118.1280	0.000	2	117.4910	0.417	5	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.1170	0.000	1	118.1280	0.000	2	117.4910	0.417	5	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	117.7315	0.510	2	117.7315	0.260	2	117.7315	0.260	2	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>}	118.9310	0.262	2	118.9310	0.068	2	118.9310	0.068	2	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|C<4>,2|F<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(F){2|C<3>,2|N<3>}	120.9580	0.000	1	118.9442	1.280	5	118.9442	1.280	5	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|C<4>,2|F<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|F<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	118.5385	0.104	2	118.9442	1.280	5	118.9442	1.280	5	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|H<1>,2|F<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|F<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	118.3430	0.030	2	118.9442	1.280	5	118.9442	1.280	5	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.9196	0.503	7	115.9059	0.218	8	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	115.8100	0.000	1	115.9059	0.218	8	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.0700	0.351	10	114.9278	0.277	12	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.2165	0.849	2	114.9278	0.277	12	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	114.2275	0.353	2	115.1140	1.960	8	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	113.7525	0.433	2	115.1140	1.960	8	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.2380	1.013	4	115.1140	1.960	8	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.9562	0.488	4	117.6963	1.467	41	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.2175	0.616	2	117.6963	1.467	41	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6495	0.766	2	117.6963	1.467	41	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.9800	0.000	1	117.6963	1.467	41	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9190	0.000	1	117.6963	1.467	41	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.7898	0.349	15	117.6963	1.467	41	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.8540	0.000	1	117.6963	1.467	41	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5714	0.940	13	117.6963	1.467	41	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.9810	0.375	2	117.6963	1.467	41	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	119.4110	0.000	1	119.4110	0.000	1	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.7073	0.520	3	120.7073	0.271	3	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.3560	0.000	1	117.3560	0.000	1	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	116.4240	0.000	1	119.1555	2.464	8	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	119.7622	0.748	4	119.1555	2.464	8	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	120.2800	0.000	1	119.1555	2.464	8	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	118.7455	2.244	2	119.1555	2.464	8	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	119.4478	1.813	5	118.8888	4.505	6	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	116.0940	0.000	1	118.8888	4.505	6	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Br<1>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>}	117.9770	0.000	1	117.9770	0.000	1	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	118.8825	0.359	2	118.0029	2.901	47	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	118.0780	1.648	34	118.0029	2.901	47	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	118.1359	1.977	8	118.0029	2.901	47	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	118.0010	0.000	1	118.0029	2.901	47	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|C<4>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	115.3160	0.277	2	118.0029	2.901	47	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,3|N<3>}	116.8400	0.000	1	116.8400	0.000	1	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cl<1>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	117.2310	0.489	2	117.2310	0.239	2	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Al<4>,1|Cr<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>}	120.7245	0.340	2	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.2057	1.277	4	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.6070	0.000	1	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.1217	0.662	3	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.9970	0.407	2	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.9680	0.000	1	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.1760	0.000	1	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	119.9085	2.041	2	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.5752	2.206	100	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	121.4905	0.347	2	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4655	0.112	2	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	118.6240	0.000	1	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.1756	1.534	135	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.0820	0.859	3	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.9081	1.177	16	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	119.2663	0.950	3	118.9408	3.249	278	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Ag<3>,1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	116.3965	0.332	2	117.9678	2.424	29	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	118.1190	2.150	7	117.9678	2.424	29	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	115.9965	0.218	2	117.9678	2.424	29	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	117.6247	0.847	10	117.9678	2.424	29	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	119.1501	1.088	8	117.9678	2.424	29	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[5a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,4|C<3>}	117.3685	1.507	4	117.3685	2.270	4	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,4|C<3>}	119.8575	0.235	4	119.6452	0.142	6	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,4|C<3>}	119.2205	0.064	2	119.6452	0.142	6	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	117.4048	2.526	4	117.4048	6.382	4	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]P)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]P)(H){1|H<1>,1|N<3>,2|C<3>}	118.3320	0.000	1	118.3320	0.000	1	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|H<1>,1|N<3>,2|C<3>}	120.0180	0.167	2	120.0180	0.028	2	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]H)(H){1|N<3>,2|C<3>}	120.9260	0.000	1	120.9260	0.000	1	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]B[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]B[5])(H){1|H<1>,2|C<3>,3|O<2>}	119.4943	0.662	3	119.4943	0.439	3	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|P<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	119.4575	0.238	2	120.1898	0.474	6	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	120.5560	0.484	4	120.1898	0.474	6	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	118.9832	1.477	8	119.5350	1.743	15	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|B<3>,1|O<2>,2|C<3>}	120.9130	0.000	1	119.5350	1.743	15	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	120.0410	0.806	6	119.5350	1.743	15	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(H){1|H<1>,1|S<2>,4|C<3>}	119.4263	0.162	3	119.4263	0.026	3	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]B[5])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]B[5])(H){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	119.3520	0.000	1	119.3520	0.000	1	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cl<1>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,2|C<3>}	118.7680	0.109	2	118.7680	0.012	2	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	118.4478	0.474	6	118.9718	0.728	42	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,2|C<3>}	119.4275	1.061	2	118.9718	0.728	42	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	118.6033	0.333	6	118.9718	0.728	42	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|B<3>,1|S<2>,2|C<3>}	119.8380	0.000	1	118.9718	0.728	42	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	118.9855	0.074	2	118.9718	0.728	42	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	119.0451	1.024	22	118.9718	0.728	42	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	119.6173	0.131	3	118.9718	0.728	42	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	115.2390	0.171	2	115.2390	0.029	2	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	118.1710	1.117	2	118.1710	1.248	2	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.2570	0.127	2	120.2570	0.016	2	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.3090	0.000	1	121.3090	0.000	1	118.5449	3.399	543	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(H){1|H<1>,1|N<3>,4|C<3>}	118.4710	0.000	1	118.4710	0.000	1	117.7917	0.377	3	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.4520	0.249	2	117.4520	0.062	2	117.7917	0.377	3	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.5910	0.876	4	115.5910	0.767	4	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	114.7640	0.184	2	114.7640	0.034	2	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.6390	0.000	1	116.6390	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2590	1.642	2	117.2590	2.696	2	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2510	0.000	1	116.1766	1.586	5	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.9080	1.278	4	116.1766	1.586	5	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<1>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.4760	0.000	1	117.4760	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	114.8150	0.000	1	114.8150	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.7160	0.000	1	116.6280	1.663	2	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5400	0.000	1	116.6280	1.663	2	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|N<3>,1|S<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	119.9380	0.000	1	119.9380	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|Se<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5250	0.000	1	117.5250	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.3571	1.118	15	117.3359	1.078	18	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.6190	0.000	1	117.3359	1.078	18	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	117.1980	0.000	1	117.3359	1.078	18	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.8730	0.000	1	117.3359	1.078	18	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.4050	0.000	1	120.4050	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	117.0800	0.000	1	117.0800	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	117.5920	0.000	1	117.5920	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.4890	0.000	1	116.4890	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	117.4830	0.393	2	117.4830	0.155	2	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|C<4>,1|S<2>,2|C<3>}	118.5542	1.149	4	118.5542	1.320	4	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	119.8005	0.110	2	119.8005	0.012	2	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	118.5355	0.721	4	118.5355	0.520	4	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,2|C<3>}	115.1797	0.907	3	115.1797	0.823	3	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,2|C<3>}	114.4680	0.482	2	114.4680	0.233	2	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,2|C<3>}	118.1260	0.153	2	118.1260	0.023	2	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,2|H<1>,2|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,2|C<3>}	116.4630	0.000	1	116.4630	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,1|V<8>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Si<5>,1|H<1>,1|V<8>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Si<5>,1|C<4>,2|C<3>}	115.2290	0.000	1	115.2290	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	115.0170	0.000	1	115.0170	0.000	1	117.0456	2.488	64	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(H){1|H<1>,1|S<4>,4|C<3>}	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){1|Co<6>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	120.4455	0.850	4	120.4455	0.722	4	120.4455	0.722	4	118.2230	3.811	690	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]S[6])(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]S[6])(CN){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	119.9940	0.000	1	119.9940	0.000	1	119.5700	0.360	2	119.0227	1.078	3	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]S[6])(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|O<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]S[6])(CN){1|N<3>,1|O<2>,3|C<3>}	119.1460	0.000	1	119.1460	0.000	1	119.5700	0.360	2	119.0227	1.078	3	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>}	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	119.0227	1.078	3	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]N)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(NC[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]N)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(NC[6a]2){4|C<3>}	115.5540	0.402	2	115.5540	0.161	2	115.5540	0.161	2	118.1065	2.191	11	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	118.6997	0.509	4	118.6997	0.259	4	119.0280	0.621	6	118.1065	2.191	11	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,6|C<3>}	118.9650	0.000	1	118.9650	0.000	1	119.0280	0.621	6	118.1065	2.191	11	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	120.4040	0.000	1	120.4040	0.000	1	119.0280	0.621	6	118.1065	2.191	11	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,7|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	117.7200	0.000	1	117.7200	0.000	1	117.7200	0.000	1	118.1065	2.191	11	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[5a]C[5a]S[5a])	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,1|S<2>,6|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[5a]C[5a]S[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	117.6600	0.000	1	117.6600	0.000	1	117.6600	0.000	1	118.1065	2.191	11	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,7|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	118.1065	2.191	11	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(CCHH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(CCHH){4|C<3>}	115.9600	0.407	2	115.9600	0.166	2	115.9600	0.166	2	115.8938	1.375	6	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]S[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O)	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]S[6]){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(CC3){1|H<1>,1|S<3>,2|C<3>}	116.2390	2.473	2	116.2390	6.118	2	116.2390	6.118	2	115.8938	1.375	6	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(CCHH){2|C<3>,2|C<4>}	115.4825	0.073	2	115.4825	0.005	2	115.4825	0.005	2	115.8938	1.375	6	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.8820	0.000	1	122.8820	0.000	1	122.8820	0.000	1	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]C[6a]S[6]Se)	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6]){1|Se<1>,1|H<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]C[6a]S[6]Se){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	112.5775	0.170	2	112.5775	0.029	2	112.5775	0.029	2	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(S[6]C[3,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(S[6]C[3,6]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	117.9540	0.000	1	117.9540	0.000	1	117.9540	0.000	1	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8480	0.369	2	115.8480	0.136	2	116.8080	2.833	3	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.7280	0.000	1	118.7280	0.000	1	116.8080	2.833	3	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6210	0.000	1	120.6813	0.903	4	119.9296	2.358	8	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.9395	1.538	2	120.6813	0.903	4	119.9296	2.358	8	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.2250	0.000	1	120.6813	0.903	4	119.9296	2.358	8	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|S<2>,2|C<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.1650	0.000	1	118.1650	0.000	1	119.9296	2.358	8	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.2510	0.000	1	117.2510	0.000	1	119.9296	2.358	8	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6]){2|C<3>,2|H<1>,3|C<4>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6480	0.467	2	120.6480	0.218	2	119.9296	2.358	8	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.2587	0.182	3	116.5264	0.519	5	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0700	0.000	1	116.5264	0.519	5	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.7860	0.000	1	116.5264	0.519	5	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.8060	0.000	1	117.3190	0.179	3	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.0755	0.053	2	117.3190	0.179	3	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.2490	0.000	1	121.2490	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5450	0.000	1	118.0901	4.137	7	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.8390	0.000	1	118.0901	4.137	7	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	119.6210	0.000	1	118.0901	4.137	7	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	119.1565	0.543	4	118.0901	4.137	7	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.1620	0.000	1	115.1620	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.1785	0.612	2	118.1785	0.374	2	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.0940	0.000	1	118.5190	0.152	3	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	118.7315	0.180	2	118.5190	0.152	3	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	116.8410	0.000	1	116.8410	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	115.4210	0.474	2	115.4210	0.224	2	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	115.6390	0.000	1	115.6390	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.3595	0.009	2	115.3595	0.000	2	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6870	0.000	1	116.6870	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	119.4975	0.045	2	119.4975	0.002	2	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.1275	1.318	4	115.1275	1.738	4	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	116.6040	0.000	1	117.7770	2.752	2	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.9500	0.000	1	117.7770	2.752	2	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4880	0.000	1	117.8863	5.908	13	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.1500	0.030	2	117.8863	5.908	13	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6558	3.609	5	117.8863	5.908	13	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	117.5120	0.000	1	117.8863	5.908	13	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	119.3633	0.064	3	117.8863	5.908	13	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	119.8530	0.000	1	117.8863	5.908	13	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5150	0.509	2	117.0793	2.965	12	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.4930	0.000	1	117.0793	2.965	12	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	115.8860	0.000	1	117.0793	2.965	12	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	114.6780	0.000	1	117.0793	2.965	12	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.1320	0.000	1	117.0793	2.965	12	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.7530	0.000	1	117.0793	2.965	12	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	119.3710	0.000	1	117.0793	2.965	12	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.6522	0.646	4	117.0793	2.965	12	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	118.2120	0.000	1	118.2120	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	119.0064	0.374	7	119.0064	0.140	7	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.0050	0.000	1	120.0050	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,2|C<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	113.8550	0.000	1	113.8550	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.8180	0.000	1	118.8180	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.6210	0.000	1	119.7220	1.032	6	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.7422	1.134	5	119.7220	1.032	6	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.7410	0.000	1	117.7410	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.3115	0.002	2	120.5007	4.428	7	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.3940	0.475	2	120.5007	4.428	7	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.8450	2.018	2	120.5007	4.428	7	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.4040	0.000	1	120.5007	4.428	7	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|F<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.7630	0.000	1	118.7630	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.6680	0.269	2	119.6680	0.072	2	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.3866	0.873	12	120.0003	2.117	15	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.0310	0.351	2	120.0003	2.117	15	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.3030	0.000	1	120.0003	2.117	15	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.3790	0.495	4	118.3790	0.245	4	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.6910	0.000	1	115.6910	0.000	1	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.8100	0.325	2	119.8100	0.106	2	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.0713	0.205	3	119.4570	0.623	4	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6140	0.000	1	119.4570	0.623	4	118.2851	4.248	116	118.2972	4.810	131	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(CN){1|C<3>,1|C<4>,1|F<1>,1|N<3>}	118.0650	0.000	1	118.0650	0.000	1	118.0650	0.000	1	118.6455	1.270	4	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	118.6455	1.270	4	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(S[6]C[6]){1|O<2>,1|S<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(SC){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	119.5420	0.629	2	119.5420	0.396	2	119.5420	0.396	2	118.6455	1.270	4	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|Cu<4>,1|O<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,2|C<4>}	123.1610	0.000	1	123.3725	0.089	2	123.3725	0.089	2	123.3725	0.089	2	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|Ni<4>,1|O<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,2|C<4>}	123.5840	0.000	1	123.3725	0.089	2	123.3725	0.089	2	123.3725	0.089	2	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	118.2119	3.861	13	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|N<3>,2|C<3>,5|H<1>}	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.6640	0.204	2	116.4240	0.194	3	117.9327	3.107	12	118.2119	3.861	13	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|N<3>,2|C<3>,5|H<1>}	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	115.9440	0.000	1	116.4240	0.194	3	117.9327	3.107	12	118.2119	3.861	13	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,2|C<4>,4|H<1>}	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.3178	0.490	6	118.0605	2.079	8	117.9327	3.107	12	118.2119	3.861	13	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.2885	0.342	2	118.0605	2.079	8	117.9327	3.107	12	118.2119	3.861	13	118.3198	4.143	893	118.3030	4.186	901
643	286	643	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){3|C<3>,4|H<1>}	S[6](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.4360	0.000	1	121.4360	0.000	1	117.9327	3.107	12	118.2119	3.861	13	118.3198	4.143	893	118.3030	4.186	901
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	120.1550	0.000	1	120.1550	0.000	1	120.8788	1.701	5	120.7925	0.676	21	121.5757	2.329	29	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	121.8060	0.127	2	121.0597	2.050	4	120.8788	1.701	5	120.7925	0.676	21	121.5757	2.329	29	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	121.7110	0.000	1	121.0597	2.050	4	120.8788	1.701	5	120.7925	0.676	21	121.5757	2.329	29	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	118.9160	0.000	1	121.0597	2.050	4	120.8788	1.701	5	120.7925	0.676	21	121.5757	2.329	29	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	120.0353	0.194	6	120.0353	0.038	6	120.7655	0.444	16	120.7925	0.676	21	121.5757	2.329	29	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](C[6,6a]C[6a]S[6])2(P[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]S[6])2(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	121.2036	0.388	10	121.2036	0.150	10	120.7655	0.444	16	120.7925	0.676	21	121.5757	2.329	29	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6]){2|H<1>,5|C<3>}	122.8670	0.471	2	122.8670	0.222	2	123.6316	0.716	8	123.6316	0.716	8	121.5757	2.329	29	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]S[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]S[6])2{2|H<1>,5|C<3>}	123.8865	0.804	6	123.8865	0.646	6	123.6316	0.716	8	123.6316	0.716	8	121.5757	2.329	29	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[5,6a]S[6])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(S[6]C[6,6a]){1|H<1>,1|O<2>,7|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){1|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[5,6a]S[6]){1|C<4>,7|C<3>}	118.0190	0.000	1	118.0190	0.000	1	118.0190	0.000	1	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(S[6]C[6,6a]){1|C<4>,1|O<1>,6|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){1|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6]){8|C<3>}	117.4650	0.000	1	117.4650	0.000	1	117.4650	0.000	1	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){6|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6]){2|H<1>,6|C<3>}	121.9470	0.000	1	121.9470	0.000	1	122.2373	0.054	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6]){1|H<1>,7|C<3>}	122.4000	0.000	1	122.4000	0.000	1	122.2373	0.054	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]S[6]){1|H<1>,7|C<3>}	122.3010	0.208	2	122.3010	0.043	2	122.2373	0.054	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]S[6]){1|H<1>,1|S<2>,6|C<3>}	125.5990	0.008	2	125.5990	0.000	2	125.5990	0.000	2	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]S[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]S[6])(C[6a,6a]C[6a]2){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	122.8910	0.000	1	122.8015	0.036	4	122.8015	0.036	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]S[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]S[6])(C[6a,6a]C[6a]2){1|S<2>,3|H<1>,4|C<3>}	122.6160	0.000	1	122.8015	0.036	4	122.8015	0.036	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]S[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]S[6])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	122.8495	0.247	2	122.8015	0.036	4	122.8015	0.036	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]S[6]){1|C<4>,1|H<1>,6|C<3>}	121.8845	0.182	2	121.8845	0.033	2	122.9993	1.674	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]N)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]N)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]S[6]){1|H<1>,1|N<3>,6|C<3>}	124.1140	0.132	2	124.1140	0.017	2	122.9993	1.674	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]P[6]S[6])	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6]){1|H<1>,1|P<3>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]P[6]S[6]){1|H<1>,2|S<2>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2){1|P<3>,2|C<3>,4|H<1>}	126.6730	0.296	2	126.6730	0.087	2	126.1985	0.903	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]S[6]N)	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]S[6]N){1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2){1|P<3>,2|C<3>,4|H<1>}	125.7240	1.312	2	125.7240	1.722	2	126.1985	0.903	4	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]S[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O)	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]S[6]){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O){1|C<4>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2){1|S<3>,2|C<3>,2|C<4>,2|H<1>}	120.8785	2.592	2	120.8785	6.716	2	123.7908	6.615	6	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O)	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]S[6]){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O){1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2){1|S<3>,2|C<3>,4|H<1>}	125.2470	0.552	4	125.2470	0.305	4	123.7908	6.615	6	123.3220	6.180	26	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6])	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]C[6a]S[6]Se)	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6]){1|Se<1>,1|H<1>,1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]C[6a]S[6]Se){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2){1|P<4>,2|C<3>,4|H<1>}	126.1610	0.045	2	126.1610	0.002	2	126.1610	0.002	2	126.1610	0.002	2	123.5248	6.276	28	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6]){4|C<3>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6]){4|C<3>}	125.3240	2.661	6	125.3240	7.080	6	125.3240	7.080	6	123.9952	8.242	14	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:N[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6]){1|Cl<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>}	122.4990	0.000	1	122.4990	0.000	1	122.4990	0.000	1	123.9952	8.242	14	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6]){1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S){1|C<3>,1|N<2>,2|S<2>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6]){1|S<2>,3|C<3>}	121.4492	1.280	5	121.4492	1.639	5	121.4492	1.639	5	123.9952	8.242	14	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a])	S[6](C[6,6a]C[6,6a]N[6a])2	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])2{1|S<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	127.1220	0.625	2	127.1220	0.391	2	127.1220	0.391	2	123.9952	8.242	14	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H){3|C<3>}	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H){2|C<3>,2|C<4>}	120.7920	0.000	1	120.7920	0.000	1	120.7920	0.000	1	121.5250	1.138	4	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	123.0760	0.000	1	121.9660	2.464	2	121.7693	1.348	3	121.5250	1.138	4	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>}	120.8560	0.000	1	121.9660	2.464	2	121.7693	1.348	3	121.5250	1.138	4	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H){6|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,2|C<3>}	121.3760	0.000	1	121.3760	0.000	1	121.7693	1.348	3	121.5250	1.138	4	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:4:	3:3:4:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.1925	1.341	2	123.1925	1.799	2	123.1925	1.799	2	123.1925	1.799	2	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:4:	3:4:3:	C[6,6a]-3:S[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,4|C<3>}	125.9860	0.000	1	126.1685	0.067	2	126.1685	0.067	2	126.1685	0.067	2	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:4:	3:4:3:	C[6,6a]-3:S[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){2|C<4>,4|C<3>}	126.3510	0.000	1	126.1685	0.067	2	126.1685	0.067	2	126.1685	0.067	2	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:2:2:	3:4:	4:3:3:	C[6,6a]-3:O[6a]-2:S[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(S[6]C[5,6]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O){2|C<3>,2|C<4>,2|H<1>}	126.3830	0.325	2	126.3830	0.106	2	126.3830	0.106	2	126.3830	0.106	2	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	120.1100	0.000	1	120.1100	0.000	1	120.1100	0.000	1	117.9780	3.409	3	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	116.9120	0.000	2	116.9120	0.000	2	116.9120	0.000	2	117.9780	3.409	3	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.3042	1.093	4	118.5313	0.939	18	118.5313	0.939	18	119.2800	2.415	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	118.5961	0.966	14	118.5313	0.939	18	118.5313	0.939	18	119.2800	2.415	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]O[6])	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]O[6]){1|C<3>,2|C<4>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.8740	0.000	1	122.8740	0.000	1	122.8740	0.000	1	119.2800	2.415	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	120.3590	0.000	1	120.3590	0.000	1	120.9680	0.661	5	119.2800	2.415	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	121.3695	1.360	2	121.1202	0.727	4	120.9680	0.661	5	119.2800	2.415	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6]){1|S<2>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	120.8710	0.290	2	121.1202	0.727	4	120.9680	0.661	5	119.2800	2.415	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)(S[6]S[6]){1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	119.2800	2.415	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	123.8095	0.320	2	123.8095	0.103	2	123.8095	0.103	2	123.8095	0.103	2	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[5,6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]){1|H<1>,2|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	122.7710	0.786	6	122.7710	0.618	6	122.7710	0.618	6	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5a,6]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|N<3>,2|C<3>,2|H<1>}	123.5860	0.133	2	123.5860	0.018	2	123.5860	0.018	2	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|Cl<1>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>}	122.1070	0.000	1	121.9435	0.053	2	121.9435	0.053	2	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,3|C<3>}	121.7800	0.000	1	121.9435	0.053	2	121.9435	0.053	2	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cl<1>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|N<3>,2|C<3>,2|H<1>}	121.4825	0.151	2	120.8039	0.622	14	120.8039	0.622	14	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	120.6853	0.877	10	120.8039	0.622	14	120.8039	0.622	14	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	120.7180	0.242	2	120.8039	0.622	14	120.8039	0.622	14	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	121.6593	0.647	3	121.0580	0.785	10	120.7081	1.697	23	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	119.8990	0.000	1	121.0580	0.785	10	120.7081	1.697	23	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	120.9505	0.864	6	121.0580	0.785	10	120.7081	1.697	23	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|P<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|H<1>,3|C<3>}	120.1680	0.355	2	120.1680	0.126	2	120.7081	1.697	23	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a]){2|H<1>,3|C<3>}	118.9585	0.445	4	120.4882	2.780	11	120.7081	1.697	23	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a]){2|H<1>,3|C<3>}	121.3623	1.443	7	120.4882	2.780	11	120.7081	1.697	23	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,4|C<3>}	120.9360	0.616	6	120.9360	0.380	6	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a]){2|H<1>,5|C<3>}	121.3158	0.394	6	121.3158	0.155	6	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	120.8370	0.000	1	121.2174	0.592	40	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cl<1>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	120.9585	0.012	2	121.2174	0.592	40	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	120.8803	0.428	3	121.2174	0.592	40	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	121.5592	0.274	6	121.2174	0.592	40	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	120.6740	0.000	1	121.2174	0.592	40	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cl<1>,1|H<1>,3|C<3>}	121.4290	0.042	2	121.2174	0.592	40	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,4|C<3>}	120.8823	0.142	3	121.2174	0.592	40	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	121.2620	0.982	22	121.2174	0.592	40	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	125.0175	0.544	2	125.0175	0.296	2	121.3378	1.032	54	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	120.3685	0.408	2	120.3685	0.166	2	120.3685	0.166	2	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a]){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a]){1|N<2>,2|H<1>,4|C<3>}	122.4630	0.000	1	122.4630	0.000	1	122.4630	0.000	1	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|H<1>}	122.0030	0.000	1	122.0030	0.000	1	121.8840	0.028	2	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){2|H<1>,3|C<3>}	121.7650	0.000	1	121.7650	0.000	1	121.8840	0.028	2	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,4|H<1>}	122.6450	0.037	2	122.6450	0.001	2	122.6450	0.001	2	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	121.6012	0.794	4	121.4119	0.471	10	121.4119	0.471	10	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	121.2127	0.566	4	121.4119	0.471	10	121.4119	0.471	10	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,2|C<3>,2|H<1>}	121.4315	1.043	2	121.4119	0.471	10	121.4119	0.471	10	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6]){1|N<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|C<4>,1|N<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	119.3850	0.000	1	119.3850	0.000	1	119.3850	0.000	1	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a]){1|N<2>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])2{1|S<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a]){4|C<3>}	121.3540	0.000	1	121.3540	0.000	1	121.3540	0.000	1	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a])	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]){1|H<1>,6|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]){1|H<1>,6|C<3>}	125.1000	0.530	2	125.1000	0.281	2	125.1000	0.281	2	121.3419	1.514	123	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){2|H<1>,6|C<3>}	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|N<3>,4|C<3>}	121.3663	0.675	3	121.3663	0.455	3	121.3663	0.455	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){3|C<3>,3|H<1>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	123.2000	0.000	1	123.2000	0.000	1	123.8663	0.435	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.8800	0.000	1	123.8800	0.000	1	123.8663	0.435	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.5190	0.000	1	124.5190	0.000	1	123.8663	0.435	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	124.6895	0.465	2	124.6895	0.216	2	124.6895	0.216	2	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2220	0.511	2	122.2220	0.261	2	122.2220	0.261	2	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	123.2920	0.000	1	123.2920	0.000	1	123.2920	0.000	1	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.8360	0.232	2	121.8360	0.054	2	123.5386	1.399	8	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.2230	0.170	2	124.1062	0.402	6	123.5386	1.399	8	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.5635	0.305	2	124.1062	0.402	6	123.5386	1.399	8	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.9060	0.000	1	124.1062	0.402	6	123.5386	1.399	8	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.1580	0.000	1	124.1062	0.402	6	123.5386	1.399	8	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	120.6890	0.000	1	120.8993	0.031	6	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9414	0.158	5	120.8993	0.031	6	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	121.9008	0.455	4	121.2857	1.032	6	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	120.0555	0.016	2	121.2857	1.032	6	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.7465	0.941	2	120.7472	1.588	5	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.4143	1.032	3	120.7472	1.588	5	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.1140	0.000	1	120.0847	0.831	6	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	120.3080	1.314	2	120.0847	0.831	6	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.2593	0.805	3	120.0847	0.831	6	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	122.0870	0.000	1	122.1725	0.015	2	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.2580	0.000	1	122.1725	0.015	2	120.8680	1.002	25	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|S<2>,3|C<3>}	118.5350	0.000	1	119.1665	0.798	2	119.3307	0.480	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|O<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|O<2>,3|C<3>}	119.7980	0.000	1	119.1665	0.798	2	119.3307	0.480	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C){1|H<1>,4|C<3>}	119.6590	0.000	1	119.6590	0.000	1	119.3307	0.480	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|C<4>,2|F<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){1|F<1>,1|N<3>,3|C<3>}	119.2680	0.000	1	120.7400	1.650	3	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|C<4>,2|F<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){2|F<1>,3|C<3>}	121.4760	0.223	2	120.7400	1.650	3	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|H<1>,2|F<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,3|C<3>}	123.0325	0.110	2	123.0325	0.012	2	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4203	0.270	3	119.4203	0.073	3	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.8860	0.000	1	123.8860	0.000	1	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]Ag)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Ag<3>,1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]Ag)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4165	0.538	2	121.4165	0.290	2	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5970	1.176	4	120.5970	1.382	4	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|C<4>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	123.1230	0.020	2	123.1230	0.000	2	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Br<1>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2790	0.000	1	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8500	0.214	2	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5710	0.000	1	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5289	1.826	15	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9705	2.636	4	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5190	0.000	1	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9840	0.457	2	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4991	1.806	45	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7750	0.338	2	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3060	0.000	1	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.5830	0.000	1	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.5285	1.374	2	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.5960	0.733	2	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5781	2.159	100	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4930	0.651	6	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8439	2.027	8	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1450	0.000	1	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0057	0.638	11	120.4377	3.643	205	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	120.0400	0.000	1	120.0400	0.000	1	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,4|C<3>}	121.6587	1.733	4	121.6587	3.004	4	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	120.4630	0.500	4	120.4630	0.250	4	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	119.6795	0.271	2	119.6795	0.073	2	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.0845	0.266	4	120.4881	1.740	124	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	119.7710	0.000	1	120.4881	1.740	124	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.4487	0.943	3	120.4881	1.740	124	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	121.1440	0.000	1	120.4881	1.740	124	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.8785	0.603	2	120.4881	1.740	124	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	120.6290	0.000	1	120.4881	1.740	124	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.4780	1.320	112	120.4881	1.740	124	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1995	0.507	2	122.1995	0.257	2	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8897	0.911	3	121.5669	1.278	23	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.2063	0.562	3	121.5669	1.278	23	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7501	1.211	17	121.5669	1.278	23	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.0860	0.000	1	120.0860	0.000	1	120.5759	2.839	383	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7900	0.047	2	120.7900	0.002	2	120.7900	0.002	2	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C){1|N<2>,2|H<1>,4|C<3>}	121.1995	0.340	2	121.1995	0.116	2	121.1995	0.116	2	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9290	1.469	2	120.8752	2.205	4	121.2432	2.331	5	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.8215	0.120	2	120.8752	2.205	4	121.2432	2.331	5	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<2>,5|C<3>}	122.7150	0.000	1	122.7150	0.000	1	121.2432	2.331	5	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	124.9090	0.225	2	124.9090	0.051	2	124.3820	0.858	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.3280	0.000	1	123.3280	0.000	1	124.3820	0.858	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<1>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	122.0900	0.000	1	122.0900	0.000	1	123.4795	3.861	2	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,3|H<1>}	124.8690	0.000	1	124.8690	0.000	1	123.4795	3.861	2	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	122.2016	1.087	15	122.3179	1.319	16	122.3395	1.242	20	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	124.0630	0.000	1	122.3179	1.319	16	122.3395	1.242	20	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	122.6890	0.000	1	122.6890	0.000	1	122.3395	1.242	20	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	122.5810	0.000	1	121.7285	1.454	2	122.3395	1.242	20	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	120.8760	0.000	1	121.7285	1.454	2	122.3395	1.242	20	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	123.5570	0.000	1	123.5570	0.000	1	122.3395	1.242	20	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	124.1600	0.000	1	124.1600	0.000	1	124.1600	0.000	1	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){1|Co<6>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	119.2995	0.762	4	119.2995	0.581	4	119.2995	0.581	4	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,7|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	120.8880	0.000	1	120.8880	0.000	1	120.9543	0.959	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,1|S<2>,6|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	121.9650	0.000	1	121.9650	0.000	1	120.9543	0.959	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,7|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	120.0100	0.000	1	120.0100	0.000	1	120.9543	0.959	3	120.8108	3.060	472	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	121.9975	1.992	2	121.9975	3.968	2	122.2833	2.838	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|P<4>,2|H<1>,3|C<3>}	122.4700	0.000	1	122.8502	1.730	5	122.2833	2.838	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	122.9453	1.499	4	122.8502	1.730	5	122.2833	2.838	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,2|H<1>}	123.0870	0.000	1	123.0870	0.000	1	122.2833	2.838	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|N<3>,1|S<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	119.2170	0.000	1	119.2170	0.000	1	122.2833	2.838	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	122.8960	0.000	1	122.8960	0.000	1	124.7387	2.768	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	126.0037	0.869	3	126.0482	0.406	5	124.7387	2.768	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	126.1150	0.314	2	126.0482	0.406	5	124.7387	2.768	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	122.7675	0.442	2	123.1703	0.584	3	124.7387	2.768	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,2|H<1>,2|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|N<3>,2|C<3>}	123.9760	0.000	1	123.1703	0.584	3	124.7387	2.768	9	123.5110	4.234	18	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	123.3303	3.526	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|C<4>,7|C<3>}	123.5360	0.242	2	123.5360	0.058	2	124.4324	0.274	14	123.3303	3.526	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	124.5207	0.356	10	124.5818	0.147	12	124.4324	0.274	14	123.3303	3.526	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	124.8875	0.507	2	124.5818	0.147	12	124.4324	0.274	14	123.3303	3.526	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{2|Br<1>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	122.1735	0.098	2	122.1735	0.010	2	122.1735	0.010	2	123.3303	3.526	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]AlCr)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Al<4>,1|Cr<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]AlCr)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.3590	0.016	2	118.3590	0.000	2	118.3590	0.000	2	123.3303	3.526	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	123.8490	0.559	4	123.8490	0.313	4	123.8490	0.313	4	123.3303	3.526	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	122.2910	0.000	1	122.2910	0.000	1	121.7585	0.567	2	123.3303	3.526	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|Se<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.2260	0.000	1	121.2260	0.000	1	121.7585	0.567	2	123.3303	3.526	25	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	123.5840	0.000	1	123.3499	0.160	8	123.3499	0.160	8	122.3924	0.599	26	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	123.3164	0.420	7	123.3499	0.160	8	123.3499	0.160	8	122.3924	0.599	26	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.9840	0.058	2	120.9840	0.003	2	121.9668	0.193	18	122.3924	0.599	26	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.0897	0.270	16	122.0897	0.073	16	121.9668	0.193	18	122.3924	0.599	26	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:3:	5:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	Si[6]-5:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](Si[6]C[6a]2N[6]V)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,1|V<8>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Si<5>,1|H<1>,1|V<8>,2|C<3>}	C[6,6a](Si[6]C[6a]2N[6]V)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6])	S[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6a]S[6])(S[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6a]S[6])(S[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	122.9340	1.827	2	122.9340	3.339	2	122.9340	3.339	2	122.5086	2.467	9	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|S<2>,2|C<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	122.5086	2.467	9	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	123.3508	0.827	4	123.3508	0.683	4	123.3508	0.683	4	122.5086	2.467	9	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6a]-3:S[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6a]S[6])(S[6]C[6])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6a]S[6])(S[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	120.8750	2.215	2	120.8750	4.905	2	120.8750	4.905	2	122.5086	2.467	9	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	119.0370	0.000	1	119.0370	0.000	1	119.4195	0.428	4	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	119.6375	1.020	2	119.6375	1.041	2	119.4195	0.428	4	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|C<4>,3|H<1>}	119.3660	0.000	1	119.3660	0.000	1	119.4195	0.428	4	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.0730	0.000	1	123.0730	0.000	1	120.4220	5.358	3	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6]){2|C<3>,2|H<1>,3|C<4>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	119.0965	0.416	2	119.0965	0.173	2	120.4220	5.358	3	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	124.6690	0.000	1	124.6690	0.000	1	124.6690	0.000	1	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	122.3370	0.000	1	123.0923	0.450	3	123.0923	0.450	3	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	123.4700	0.208	2	123.0923	0.450	3	123.0923	0.450	3	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.8357	0.235	3	120.8357	0.055	3	120.4450	0.647	4	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.2730	0.000	1	119.2730	0.000	1	120.4450	0.647	4	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.8730	0.000	1	121.8730	0.000	1	121.8730	0.000	1	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.6560	0.113	2	121.6560	0.013	2	121.7678	0.149	5	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.9910	0.000	1	121.8423	0.271	3	121.7678	0.149	5	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	121.7680	0.713	2	121.8423	0.271	3	121.7678	0.149	5	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	123.6650	0.000	1	123.6650	0.000	1	123.6650	0.000	1	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4510	0.000	1	121.4510	0.000	1	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	124.7720	0.000	1	124.7720	0.000	1	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	121.7250	0.000	1	121.7250	0.000	1	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	122.8784	3.576	5	122.8784	12.787	5	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.2010	0.000	1	120.2010	0.000	1	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	123.8710	0.000	1	121.8522	2.087	4	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.1793	0.643	3	121.8522	2.087	4	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0000	0.000	1	121.1566	0.757	7	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.1190	0.000	1	121.1566	0.757	7	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.5330	0.000	1	121.1566	0.757	7	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	121.1110	1.031	4	121.1566	0.757	7	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	121.1391	0.478	7	121.1391	0.228	7	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	120.7910	0.000	1	120.7910	0.000	1	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	121.2900	0.000	1	121.2900	0.000	1	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.2900	0.000	1	122.2900	0.000	1	121.6797	3.024	30	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	122.7110	0.000	1	122.7110	0.000	1	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]O)(N[6]C[6]Cu)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|Cu<4>,1|O<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]O)(N[6]C[6]Cu){1|C<3>,1|H<1>,3|C<4>}	117.3320	0.000	1	117.3320	0.000	1	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]O)(N[6]C[6]Ni)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|Ni<4>,1|O<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]O)(N[6]C[6]Ni){1|C<3>,1|H<1>,3|C<4>}	117.2420	0.000	1	117.2420	0.000	1	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.6560	0.000	1	120.8982	1.144	6	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.9466	1.189	5	120.8982	1.144	6	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	122.9530	0.000	1	122.9530	0.000	1	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.6220	0.049	2	120.6510	2.888	5	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	121.9480	2.404	2	120.6510	2.888	5	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.1150	0.000	1	120.6510	2.888	5	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	118.3510	0.157	2	118.3510	0.025	2	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|F<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.1330	0.000	1	122.1330	0.000	1	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.1300	0.334	2	120.5273	2.923	16	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.9087	0.669	12	120.5273	2.923	16	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	124.6360	0.379	2	120.5273	2.923	16	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	119.6780	0.000	1	119.6780	0.000	1	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(S[6]C[6]){1|O<2>,1|S<2>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|S<2>}	119.8955	0.722	2	119.8955	0.521	2	120.4222	2.983	37	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	124.0470	0.000	1	124.0470	0.000	1	124.0470	0.000	1	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2){1|C<4>,4|H<1>,5|C<3>}	121.9340	0.000	1	121.9340	0.000	1	123.1537	1.136	3	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2){2|C<4>,3|H<1>,5|C<3>}	123.7635	0.200	2	123.7635	0.040	2	123.1537	1.136	3	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	124.8820	0.000	1	124.8820	0.000	1	124.8820	0.000	1	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.6475	0.011	2	120.6475	0.000	2	120.6475	0.000	2	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	122.1247	0.341	3	121.6875	0.842	4	121.6875	0.842	4	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.3760	0.000	1	121.6875	0.842	4	121.6875	0.842	4	121.2227	3.241	102	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	119.3610	0.054	2	119.3610	0.003	2	123.5431	5.589	10	123.5431	5.589	10	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	123.7745	0.168	2	123.7745	0.028	2	123.5431	5.589	10	123.5431	5.589	10	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.5640	0.000	1	123.5640	0.000	1	123.5431	5.589	10	123.5431	5.589	10	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.9780	0.631	2	124.8045	0.262	4	123.5431	5.589	10	123.5431	5.589	10	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	124.2660	0.000	1	124.8045	0.262	4	123.5431	5.589	10	123.5431	5.589	10	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,2|C<4>,2|H<1>}	124.9960	0.000	1	124.8045	0.262	4	123.5431	5.589	10	123.5431	5.589	10	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,2|C<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,2|H<1>}	126.3780	0.000	1	126.3780	0.000	1	123.5431	5.589	10	123.5431	5.589	10	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.6780	0.123	2	124.6780	0.015	2	124.6780	0.015	2	124.5816	0.997	11	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	124.6130	0.235	2	124.6130	0.055	2	124.4546	1.588	7	124.5816	0.997	11	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	124.1690	1.675	4	124.1690	2.805	4	124.4546	1.588	7	124.5816	0.997	11	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	125.2800	0.000	1	125.2800	0.000	1	124.4546	1.588	7	124.5816	0.997	11	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6]C[6])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6]C[6]){2|H<1>,4|C<3>,4|C<4>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	124.9300	0.225	2	124.9300	0.051	2	124.9300	0.051	2	124.5816	0.997	11	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[3,6]-4:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(S[6]C[3,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N)	C[6,6a](P[6]C[3,6]C[6a]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(S[6]C[3,6]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](P[6]C[3,6]C[6a]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	122.8680	0.000	1	122.8680	0.000	1	122.8680	0.000	1	123.6746	5.800	8	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	123.8050	0.400	2	123.9587	0.151	3	123.9587	0.151	3	123.6746	5.800	8	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	124.2660	0.000	1	123.9587	0.151	3	123.9587	0.151	3	123.6746	5.800	8	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|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>}	118.2710	0.000	1	118.2710	0.000	1	123.6633	13.134	4	123.6746	5.800	8	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	126.1080	0.000	1	126.1080	0.000	1	123.6633	13.134	4	123.6746	5.800	8	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	125.1920	0.000	1	125.1920	0.000	1	123.6633	13.134	4	123.6746	5.800	8	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	125.0820	0.000	1	125.0820	0.000	1	123.6633	13.134	4	123.6746	5.800	8	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,2|C<4>,4|H<1>}	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0417	0.561	6	122.2364	2.483	8	121.8252	3.694	9	121.8252	3.694	9	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	119.8205	0.496	2	122.2364	2.483	8	121.8252	3.694	9	121.8252	3.694	9	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){3|C<3>,4|H<1>}	S[6](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	118.5360	0.000	1	118.5360	0.000	1	121.8252	3.694	9	121.8252	3.694	9	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	122.1010	6.691	4	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|N<3>,2|C<3>,5|H<1>}	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.4490	0.000	1	123.3920	0.037	3	123.3920	0.037	3	122.1010	6.691	4	121.2903	3.900	873	121.3665	4.061	930
643	286	643	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|N<3>,2|C<3>,5|H<1>}	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.3635	0.262	2	123.3920	0.037	3	123.3920	0.037	3	122.1010	6.691	4	121.2903	3.900	873	121.3665	4.061	930