643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:1:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<4>,2|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	117.8380	0.037	2	117.8380	0.037	2	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:1:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	N[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	117.9740	0.000	1	117.9740	0.000	1	117.9740	0.000	1	117.8380	0.037	2	117.8380	0.037	2	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:3:4:	3:3:1:	3:4:1:1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	116.3958	1.195	17	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	116.3958	1.195	17	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:3:4:	3:3:2:	3:4:1:1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	116.2930	0.000	1	116.2930	0.000	1	116.2930	0.000	1	116.2930	0.000	1	116.3958	1.195	17	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:3:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	115.4610	0.000	1	115.4610	0.000	1	115.4610	0.000	1	115.4610	0.000	1	116.3958	1.195	17	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:3:4:	3:3:4:	3:4:1:1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	115.5080	0.000	1	116.5990	2.381	2	117.3046	1.300	5	117.3046	1.300	5	116.3958	1.195	17	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:3:4:	3:3:4:	3:4:1:1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	117.6900	0.000	1	116.5990	2.381	2	117.3046	1.300	5	117.3046	1.300	5	116.3958	1.195	17	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:3:4:	3:3:4:	3:4:1:1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	116.9010	0.000	1	116.9010	0.000	1	117.3046	1.300	5	117.3046	1.300	5	116.3958	1.195	17	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:3:4:	3:3:4:	3:4:1:1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	118.2120	0.119	2	118.2120	0.014	2	117.3046	1.300	5	117.3046	1.300	5	116.3958	1.195	17	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:3:	3:3:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	116.3072	0.563	8	116.3072	0.317	8	116.3072	0.317	8	116.3072	0.317	8	116.3958	1.195	17	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:N[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	117.2351	0.193	14	116.8393	0.912	33
643	217	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:3:4:	3:3:2:	3:4:4:1:	C[6a]-3:N[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	117.2430	0.457	13	117.2430	0.209	13	117.2430	0.209	13	117.2430	0.209	13	117.2351	0.193	14	116.8393	0.912	33
643	217	466	6:SP2_SP2_SP3	C[6,6,6a]	N[6,6,6a]	C[3x6]	4:3:2:	3:4:3:	4:3:2:1:	C[3x6]-4:N[6,6,6a]-3:N[6a]-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:N[6,6]-2:H-1:	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a])	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O)	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H)	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6,6]	4:3:3:	3:4:3:	3:4:4:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	119.1990	0.000	1	119.1990	0.000	1	118.8829	0.774	22	118.8829	0.774	22	118.8829	0.774	22	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6,6]	4:3:3:	3:4:3:	3:4:4:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	118.8800	0.000	1	118.2253	0.408	4	118.8829	0.774	22	118.8829	0.774	22	118.8829	0.774	22	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6,6]	4:3:3:	3:4:3:	3:4:4:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	118.0070	0.571	3	118.2253	0.408	4	118.8829	0.774	22	118.8829	0.774	22	118.8829	0.774	22	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6,6]	4:3:3:	3:4:3:	3:4:4:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	119.0191	0.897	17	119.0191	0.805	17	118.8829	0.774	22	118.8829	0.774	22	118.8829	0.774	22	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:2:4:	3:3:2:	3:2:4:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H)	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH){1|O<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H){1|H<1>,1|N<2>,2|C<3>}	117.8800	0.000	1	117.8800	0.000	1	117.8800	0.000	1	117.8800	0.000	1	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:2:4:	3:3:3:	3:4:1:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:2:4:	3:3:4:	3:3:1:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:2:4:	3:3:4:	3:3:2:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>}	115.7060	0.000	1	115.7060	0.000	1	115.7060	0.000	1	115.7060	0.000	1	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:2:4:	3:3:4:	3:3:2:4:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:C-4:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3){1|C<4>,1|O<1>,2|C<3>}	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:2:4:	3:3:4:	3:3:4:2:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	115.9570	0.852	3	115.9570	0.725	3	115.9570	0.725	3	115.9570	0.725	3	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:2:4:	3:3:4:	3:4:1:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	118.4992	0.382	4	118.4992	0.146	4	118.4992	0.146	4	118.4992	0.146	4	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:3:4:	3:3:4:	3:4:1:1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	118.9355	0.944	2	118.9355	0.891	2	118.9777	0.451	3	118.9777	0.451	3	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:3:4:	3:3:4:	3:4:1:1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.0620	0.000	1	119.0620	0.000	1	118.9777	0.451	3	118.9777	0.451	3	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:3:4:	4:3:3:	3:2:1:1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH)	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|Br<1>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2{1|Br<1>,2|C<4>,3|C<3>}	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:4:2:	3:3:4:	3:3:3:1:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a])	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:4:2:	3:3:4:	3:4:1:1:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	119.4820	0.208	3	119.4820	0.043	3	119.4820	0.043	3	119.4820	0.043	3	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:4:3:	4:3:3:	3:4:2:1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.8520	0.000	1	116.8520	0.000	1	116.8520	0.000	1	116.8520	0.000	1	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:4:3:	4:3:3:	3:4:4:1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.6007	0.299	3	117.6007	0.089	3	117.6007	0.089	3	117.6007	0.089	3	117.6124	2.606	25	118.0644	3.056	48
643	217	466	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[6]	3:4:3:	4:3:3:	4:3:2:1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	117.6124	2.606	25	118.0644	3.056	48
643	217	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:2:3:	3:3:3:	4:4:3:1:	C[5]-4:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,7|C<3>}	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1
643	217	474	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[5,6]	3:4:3:	4:3:3:	3:2:2:3:	N[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:N-3:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H)	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O)	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH){2|C<3>,2|C<4>,3|H<1>}	116.3820	0.000	1	116.3820	0.000	1	116.3820	0.000	1	116.3820	0.000	1	116.4235	0.003	2	116.4235	0.003	2
643	217	474	6:SP2_SP2_SP3	C[6,6a]	N[6,6a]	C[5,6]	4:3:3:	4:3:3:	4:3:4:4:	C[5,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O){1|Si<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	116.4650	0.000	1	116.4650	0.000	1	116.4650	0.000	1	116.4650	0.000	1	116.4235	0.003	2	116.4235	0.003	2
643	217	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	3:3:4:	3:3:4:	3:4:4:1:	C[5a,6a]-3:N[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H)	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO)	C[4](C[6a]C[5a,6a]N[6a])(C[4]C[6a]C[4]H)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[4](C[6a]C[5a,6a]N[6a])(C[4]C[6a]C[4]H)2(H){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	118.2265	0.624	2	118.2265	0.390	2	118.2265	0.390	2	118.2265	0.390	2	118.2265	0.390	2	118.2265	0.390	2
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6,6a]	C	3:3:4:	3:3:4:	3:1:1:1:	N[6,6a]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C(C[6a]N[6,6a]C[6a])(H)3	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3){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]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C(C[6a]N[6,6a]C[6a])(H)3	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a,6a]	C	3:2:4:	3:3:3:	3:1:1:1:	N[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	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])(H)3	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){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])(H)3	121.9770	0.000	1	121.9770	0.000	1	121.9770	0.000	1	121.9770	0.000	1	118.4400	12.547	6	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a,6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]N[6a,6a]C[6a])(H)3	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){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]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C(C[6a]N[6a,6a]C[6a])(H)3	121.6620	0.000	1	121.6620	0.000	1	121.6620	0.000	1	119.4595	9.702	2	118.4400	12.547	6	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a,6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C(C[6a]N[6a,6a]C[6a])(H)3	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|O<1>,4|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<1>,5|C<3>}	C(C[6a]N[6a,6a]C[6a])(H)3	117.2570	0.000	1	117.2570	0.000	1	117.2570	0.000	1	119.4595	9.702	2	118.4400	12.547	6	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a,6a]	C	3:3:4:	3:3:3:	3:4:1:1:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH){1|O<1>,4|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	114.4185	0.124	2	114.4185	0.015	2	114.4185	0.015	2	114.4185	0.015	2	118.4400	12.547	6	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a,6a]	C	3:3:4:	3:4:3:	3:1:1:1:	N[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C)	C(C[6a]N[6a,6a]C[6a])(H)3	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3){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]C){2|H<1>,4|C<3>}	C(C[6a]N[6a,6a]C[6a])(H)3	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1	118.4400	12.547	6	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:1:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C(C[6a]N[6a]2)(Cl)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3){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]N[6a]2)(Cl)3	116.9093	2.097	3	116.9093	4.398	3	116.9093	4.398	3	116.9093	4.398	3	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:2:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC){2|C<3>}	C(C[6a]N[6a]2)(H)3	117.3210	0.000	1	117.3210	0.000	1	117.3210	0.000	1	117.3210	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:2:	3:4:2:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS)	C(C[6a]N[6a]2)(CH3)(OH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS){2|C<3>}	C(C[6a]N[6a]2)(CH3)(OH)(H)	118.7020	0.888	2	118.7020	0.789	2	118.7020	0.789	2	118.7020	0.789	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C(C[6a]N[6a]2)(H)3	117.0872	0.350	4	117.3474	0.172	13	117.4068	0.208	14	117.4272	0.193	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,4|C<3>}	C(C[6a]N[6a]2)(H)3	117.3930	0.303	3	117.3474	0.172	13	117.4068	0.208	14	117.4272	0.193	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|I<1>,4|C<3>}	C(C[6a]N[6a]2)(H)3	117.2590	0.366	4	117.3474	0.172	13	117.4068	0.208	14	117.4272	0.193	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|Br<1>,4|C<3>}	C(C[6a]N[6a]2)(H)3	117.9760	0.085	2	117.3474	0.172	13	117.4068	0.208	14	117.4272	0.193	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C){1|H<1>,4|C<3>}	C(C[6a]N[6a]2)(H)3	118.1790	0.000	1	118.1790	0.000	1	117.4068	0.208	14	117.4272	0.193	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C(C[6a]N[6a]2)(H)3	118.0180	0.000	1	118.0180	0.000	1	117.4985	0.183	4	117.4272	0.193	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C){2|C<3>}	C(C[6a]N[6a]2)(H)3	117.3253	0.307	3	117.3253	0.094	3	117.4985	0.183	4	117.4272	0.193	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:3:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	C(C[6a]N[6a]2)(NHS)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C(C[6a]N[6a]2)(NHS)(H)2	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:3:3:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	116.5360	0.771	2	116.5360	0.594	2	116.5360	0.594	2	116.5360	0.594	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:3:4:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:4:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C(C[6a]N[6a]2)(CCHH)(H)2	116.6950	0.000	1	116.6950	0.000	1	117.2630	0.759	4	117.2630	0.759	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:4:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C(C[6a]N[6a]2)(CH3)(H)2	116.7480	0.000	1	116.7480	0.000	1	117.2630	0.759	4	117.2630	0.759	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:4:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C(C[6a]N[6a]2)(CCHH)(H)2	118.5470	0.000	1	118.5470	0.000	1	117.2630	0.759	4	117.2630	0.759	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:4:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C(C[6a]N[6a]2)(CH3)(H)2	117.0620	0.000	1	117.0620	0.000	1	117.2630	0.759	4	117.2630	0.759	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:4:2:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	119.6007	1.548	3	119.6007	2.395	3	118.8812	3.667	4	118.8812	3.667	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:3:	3:4:2:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C(C[6a]N[6a]2)(CH3)(OSi)(H)	116.7230	0.000	1	116.7230	0.000	1	118.8812	3.667	4	118.8812	3.667	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:4:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|S<2>}	C(C[6a]N[6a]2)(H)3	117.8030	0.000	1	117.8030	0.000	1	117.9915	0.071	2	117.9915	0.071	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:4:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3){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]N[6a]2)(H)3	118.1800	0.000	1	118.1800	0.000	1	117.9915	0.071	2	117.9915	0.071	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:4:	3:3:4:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH)	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:4:	3:4:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C(C[6a]N[6a]2)(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH){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]N[6a]2)(CCHO)(H)2	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:4:	3:4:4:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:N-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C(C[6a]N[6a]2)(CH3)2(NCH)	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:1:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(H)3	116.8253	0.833	3	116.5184	0.529	5	116.5184	0.529	5	116.5184	0.529	5	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:1:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]N[6a]2)(H)3	115.9580	0.000	1	116.5184	0.529	5	116.5184	0.529	5	116.5184	0.529	5	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:1:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	C(C[6a]N[6a]2)(H)3	116.1580	0.000	1	116.5184	0.529	5	116.5184	0.529	5	116.5184	0.529	5	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:1:	3:3:2:1:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:H-1:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H)	C(C[6a]N[6a]2)(CCO)(OC)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CCO)(OC)(H)	115.5820	0.710	4	115.5820	0.504	4	115.5820	0.504	4	115.5820	0.504	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:1:	3:4:4:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C(C[6a]N[6a]2)(CH3)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(CH3)2(H)	116.9260	0.000	1	116.9260	0.000	1	116.9260	0.000	1	116.9260	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:1:	3:4:4:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:N-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	C(C[6a]N[6a]2)(CH3)2(NCH)	116.1400	0.000	1	116.1400	0.000	1	116.1400	0.000	1	116.1400	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH){1|C<3>,1|N<2>}	C(C[6a]N[6a]2)(H)3	118.5930	0.000	1	118.5930	0.000	1	118.5930	0.000	1	117.7075	0.915	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]N[6a]2)(F)3	118.4770	0.000	1	118.4770	0.000	1	118.4770	0.000	1	117.7075	0.915	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2){1|C<4>,1|N<2>,1|S<1>,3|C<3>}	C(C[6a]N[6a]2)(H)3	116.8800	0.000	2	116.8800	0.000	2	116.8800	0.000	2	117.7075	0.915	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:3:	3:4:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|H<1>,2|C<3>,3|C<4>}	C(C[6a]N[6a]2)(CH3)(H)2	118.4140	0.000	1	118.1095	0.185	2	118.1095	0.185	2	118.1095	0.185	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:3:	3:4:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]N[6a]2)(CH3)(H)2	117.8050	0.000	1	118.1095	0.185	2	118.1095	0.185	2	118.1095	0.185	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:3:	3:4:2:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C(C[6a]N[6a]2)(CC3)(OH)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CC3)(OH)(H)	119.5920	0.000	1	119.5920	0.000	1	119.5920	0.000	1	119.5920	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:3:	3:4:4:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CC3)(CH3)(H)	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:4:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[6a]N[6a]2)(H)3	119.2740	0.000	1	119.2740	0.000	1	118.7933	0.162	4	118.7933	0.162	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:4:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C(C[6a]N[6a]2)(H)3	118.6330	0.298	3	118.6330	0.089	3	118.7933	0.162	4	118.7933	0.162	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:4:	3:3:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	C(C[6a]N[6a]2)(NOO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	C(C[6a]N[6a]2)(NOO)(H)2	117.0140	0.000	1	117.0140	0.000	1	117.0140	0.000	1	117.0140	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:4:	3:4:2:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]N[6a]2)(CCCH)(OC)(H)	117.1320	0.000	1	117.1320	0.000	1	118.7795	5.429	2	118.7795	5.429	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:4:	3:4:2:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]N[6a]2)(CCCH)(OH)(H)	120.4270	0.000	1	120.4270	0.000	1	118.7795	5.429	2	118.7795	5.429	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:4:	3:4:4:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:N-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C(C[6a]N[6a]2)(CH3)2(NCH)	121.1612	0.394	4	121.1612	0.155	4	121.1612	0.155	4	121.1612	0.155	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	2:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3){4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.0340	0.000	1	117.0340	0.000	1	117.0340	0.000	1	117.0340	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:2:3:	3:4:4:1:	C[5a,6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH){3|C<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	121.2630	0.000	1	121.2630	0.000	1	121.2630	0.000	1	121.2630	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.2230	0.000	1	114.2230	0.000	1	114.3190	0.018	2	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3){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])(F)3	114.4150	0.000	1	114.4150	0.000	1	114.3190	0.018	2	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.9600	0.000	1	116.9600	0.000	1	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C(C[6a]C[6a]N[6a])(H)3	115.0085	1.104	2	115.0085	1.218	2	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.9640	0.000	1	116.3120	1.419	5	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.6490	1.065	4	116.3120	1.419	5	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.8550	0.554	2	114.8550	0.307	2	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.0515	0.482	2	115.0515	0.232	2	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(H)3	115.1400	0.000	1	115.8293	0.521	3	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.5800	0.000	1	115.8293	0.521	3	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.7680	0.000	1	115.8293	0.521	3	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(H)3	114.9615	1.156	4	114.9615	1.337	4	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.1110	0.820	2	116.1110	0.673	2	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){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|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.8550	0.396	2	116.3057	0.283	27	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,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])(H)3	116.3900	0.000	1	116.3057	0.283	27	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){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])(H)3	116.3170	0.520	22	116.3057	0.283	27	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.2790	0.000	1	116.3057	0.283	27	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>}	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])(H)3	115.9020	0.000	1	116.3057	0.283	27	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.1396	0.560	11	116.1396	0.314	11	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.1975	0.661	2	116.4123	1.154	4	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){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])(H)3	115.6270	0.748	2	116.4123	1.154	4	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|O<2>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.5760	0.000	1	116.5760	0.000	1	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.6675	0.049	2	116.6675	0.002	2	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(H)3	115.3400	0.000	1	115.3400	0.000	1	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3){1|H<1>,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>}	C(C[6a]C[6a]N[6a])(H)3	119.8590	0.000	1	119.8590	0.000	1	116.1244	0.870	68	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.1400	0.000	1	115.1400	0.000	1	115.7650	0.196	7	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.8692	0.380	6	115.8692	0.144	6	115.7650	0.196	7	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.7220	0.000	1	115.7220	0.000	1	115.7220	0.000	1	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.5070	0.000	1	116.5070	0.000	1	116.4390	0.009	2	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){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])(H)3	116.3710	0.000	1	116.3710	0.000	1	116.4390	0.009	2	116.0506	0.846	80	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:2:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,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>}	C(C[6a]C[6a]N[6a])(OH)(H)2	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	116.2300	0.179	3	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:2:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS)	N[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	115.9955	0.168	2	115.9955	0.028	2	115.9955	0.028	2	116.2300	0.179	3	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH)	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)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	113.1490	0.000	1	113.1490	0.000	1	115.5043	4.166	3	118.1492	30.759	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH)	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)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|F<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	116.6820	0.099	2	116.6820	0.010	2	115.5043	4.166	3	118.1492	30.759	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH){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])(N[5]C[5]2)(H)2	126.0840	0.000	1	126.0840	0.000	1	126.0840	0.000	1	118.1492	30.759	4	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:2:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	116.5220	0.000	1	116.5220	0.000	1	116.5220	0.000	1	116.5220	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H){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])3(H)	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	113.3070	0.000	1	113.3070	0.000	1	115.3111	4.577	15	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	111.4560	0.000	2	111.4560	0.000	2	115.3111	4.577	15	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	114.1570	0.018	2	114.1570	0.000	2	115.3111	4.577	15	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){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|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	118.2455	1.083	2	117.2145	1.809	4	115.3111	4.577	15	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	116.1835	0.057	2	117.2145	1.809	4	115.3111	4.577	15	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|C<3>,1|O<1>,1|O<2>}	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]HH)(H)2	116.5692	0.182	4	116.5692	0.033	4	115.3111	4.577	15	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	115.7490	0.000	1	115.7490	0.000	1	115.3111	4.577	15	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){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])(CCHH)(H)2	114.2500	0.000	1	114.2500	0.000	1	115.3111	4.577	15	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH){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])(C[6]C[6]N[6]H)(H)2	116.0710	0.000	1	116.0710	0.000	1	116.0710	0.000	1	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(PO3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP){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])(PO3)(H)2	116.5450	0.000	1	116.5450	0.000	1	116.5450	0.000	1	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH){1|O<1>,2|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])(CH3)(H)2	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	115.3649	3.951	18	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH){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])(CH3)2(H)	115.3020	0.512	2	115.3020	0.262	2	115.3020	0.262	2	115.3020	0.262	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CC3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CC3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C(C[6a]C[6a]N[6a])(CH3)3	115.6880	0.000	1	115.6880	0.000	1	115.2695	0.350	2	115.2695	0.350	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CC3)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)3	114.8510	0.000	1	114.8510	0.000	1	115.2695	0.350	2	115.2695	0.350	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.5180	0.147	2	117.5180	0.022	2	116.2450	4.872	3	116.2450	4.872	3	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:2:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|P<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	113.6990	0.000	1	113.6990	0.000	1	116.2450	4.872	3	116.2450	4.872	3	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:2:	3:3:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS){3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:2:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	116.2410	0.000	1	116.2410	0.000	1	115.7465	0.489	2	115.7465	0.489	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:2:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH){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])(CCHH)(H)2	115.2520	0.000	1	115.2520	0.000	1	115.7465	0.489	2	115.7465	0.489	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	117.9985	0.698	2	117.9985	0.487	2	117.9985	0.487	2	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.3370	0.000	1	116.3370	0.000	1	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.8250	0.000	1	117.8250	0.000	1	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|B<3>,1|H<1>,1|N<3>,2|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>}	C(C[6a]C[6a]N[6a])(H)3	117.4820	0.069	2	117.4820	0.005	2	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.2380	0.000	1	115.2380	0.000	1	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.9640	0.000	1	118.9640	0.000	1	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){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]O){1|C<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(H)3	118.4840	0.000	1	118.0000	0.469	2	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.5160	0.000	1	118.0000	0.469	2	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(H)3	119.0153	0.347	3	119.0153	0.121	3	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.8990	0.000	1	117.8990	0.000	1	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){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]H){1|O<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(H)3	118.9930	0.423	9	118.9930	0.179	9	118.3433	1.177	21	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|Cl<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.0600	0.000	1	117.0600	0.000	1	117.0590	0.000	2	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.0580	0.000	1	117.0580	0.000	1	117.0590	0.000	2	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.0245	0.129	2	118.0245	0.017	2	118.0245	0.017	2	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,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>}	C(C[6a]C[6a]N[6a])(H)3	118.8060	0.000	1	118.8060	0.000	1	118.8060	0.000	1	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	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])(F)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){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){4|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(F)3	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	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])(H)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){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|C<4>,3|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(H)3	112.9810	0.000	1	112.9810	0.000	1	113.9185	1.758	2	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3)	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])(H)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3){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])(H)3	114.8560	0.000	1	114.8560	0.000	1	113.9185	1.758	2	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.5570	0.000	1	114.5570	0.000	1	116.5110	7.636	2	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.4650	0.000	1	118.4650	0.000	1	116.5110	7.636	2	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	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)3	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<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)3	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	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)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|N<3>,3|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)3	118.7610	0.000	1	118.7610	0.000	1	118.5168	1.282	4	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	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)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<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)3	120.0190	0.000	1	120.0190	0.000	1	118.5168	1.282	4	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	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)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|Ni<7>,1|N<3>,3|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)3	117.5920	0.000	1	117.5920	0.000	1	118.5168	1.282	4	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	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)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,1|P<2>,3|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)3	117.6950	0.000	1	117.6950	0.000	1	118.5168	1.282	4	117.9757	2.290	38	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH)	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])(COO)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH){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){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(COO)2(H)	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH)	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])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH){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])(CH3)(H)2	116.1820	0.000	1	116.1820	0.000	1	117.4998	3.158	4	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH)	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])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH){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|N<2>,2|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	116.5330	0.000	1	116.5330	0.000	1	117.4998	3.158	4	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH){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]H){2|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	117.1940	0.000	1	117.1940	0.000	1	117.4998	3.158	4	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH){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]H){1|O<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	120.0900	0.000	1	120.0900	0.000	1	117.4998	3.158	4	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	119.2710	0.000	1	119.2710	0.000	1	119.3020	0.002	2	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	119.3330	0.000	1	119.3330	0.000	1	119.3020	0.002	2	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP){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])(PC[6a]2O)(H)2	117.7380	0.000	1	117.7380	0.000	1	117.7380	0.000	1	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	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])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){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|C<4>,3|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	117.0220	0.000	1	117.0220	0.000	1	117.0220	0.000	1	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:1:1:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|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>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	118.1556	1.994	10	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:4:4:	N[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3)	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3){1|Br<1>,4|C<3>}	N[6a](B[6a]C[6a,6a]Br)(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])(CH3)3	125.5430	0.399	4	125.5430	0.159	4	125.5394	0.119	5	125.5394	0.119	5	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:4:4:4:	N[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3)	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3){5|C<3>}	N[6a](B[6a]C[6a,6a]C[6a])(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])(CH3)3	125.5250	0.000	1	125.5250	0.000	1	125.5394	0.119	5	125.5394	0.119	5	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	119.5880	0.000	1	119.4545	0.036	2	119.4545	0.036	2	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	119.3210	0.000	1	119.4545	0.036	2	119.4545	0.036	2	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6,6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3){2|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(C[6a]C[6,6a]N[6a])(H)3	118.5440	0.000	1	118.5440	0.000	1	118.5440	0.000	1	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3){1|H<1>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	123.0250	0.445	2	123.0250	0.198	2	122.3987	1.276	3	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3){1|Rh<6>,1|C<4>,1|H<1>,1|N<4>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	121.1460	0.000	1	121.1460	0.000	1	122.3987	1.276	3	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(F)3	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.1290	0.000	1	115.1290	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	118.7760	0.000	1	118.7760	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	119.3895	1.457	4	119.1753	1.509	6	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	118.7470	0.789	2	119.1753	1.509	6	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	118.0430	0.000	1	118.0430	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<4>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	119.6610	0.000	1	119.6610	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	118.0310	0.000	1	118.0310	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	118.6740	0.763	3	118.6740	0.582	3	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C(C[6a]C[6a]N[6a])(H)3	118.7420	0.000	1	118.7420	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C(C[6a]C[6a]N[6a])(H)3	119.8040	0.000	1	119.8040	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C(C[6a]C[6a]N[6a])(H)3	119.7210	0.000	1	119.7210	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C(C[6a]C[6a]N[6a])(H)3	118.7080	0.129	3	119.0480	0.473	4	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C(C[6a]C[6a]N[6a])(H)3	120.0680	0.000	1	119.0480	0.473	4	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(H)3	118.1890	0.000	1	118.1890	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	120.4410	0.000	1	120.4410	0.000	1	118.8610	1.431	23	119.2144	2.395	30	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:3:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	115.3690	0.000	1	115.3690	0.000	1	115.5342	0.119	5	117.3503	6.470	9	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:3:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	115.5755	0.383	4	115.5755	0.147	4	115.5342	0.119	5	117.3503	6.470	9	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:3:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){3|C<3>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	116.4540	0.000	1	116.4540	0.000	1	119.6205	4.726	4	117.3503	6.470	9	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:3:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	N[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(NCH)(H)2	120.7525	0.879	2	120.7525	0.773	2	119.6205	4.726	4	117.3503	6.470	9	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:3:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	N[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(NHS)(H)2	120.5230	0.000	1	120.5230	0.000	1	119.6205	4.726	4	117.3503	6.470	9	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	117.1832	0.385	6	117.1832	0.148	6	119.2798	3.720	16	119.2798	3.720	16	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	117.2800	0.000	1	117.2800	0.000	1	119.2798	3.720	16	119.2798	3.720	16	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,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>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	120.9697	0.432	3	120.9697	0.187	3	119.2798	3.720	16	119.2798	3.720	16	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,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>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	120.8647	0.366	6	120.8647	0.134	6	119.2798	3.720	16	119.2798	3.720	16	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	4:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3){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]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(H)3	119.4950	0.052	2	119.4950	0.003	2	119.4950	0.003	2	119.4950	0.003	2	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	4:3:3:	3:4:1:1:	N[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){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]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	118.8520	0.000	1	118.8520	0.000	1	119.5637	0.477	3	119.5637	0.477	3	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	4:3:3:	3:4:1:1:	N[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){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]C)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	119.9195	0.441	2	119.9195	0.194	2	119.5637	0.477	3	119.5637	0.477	3	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:3:4:	4:3:3:	3:4:4:4:	N[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){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]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])(CH3)3	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	117.5250	4.924	305	117.5487	5.043	312
643	217	490	0:SP2_SP3_SP3	C[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6a]-3:C[6a]-3:C-4:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	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)3	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,4|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)3	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1
643	217	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	119.6803	0.589	3	119.6803	0.346	3	119.6803	0.346	3	119.6803	0.346	3	119.9325	0.485	4	119.9325	0.485	4
643	217	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:4:	3:4:4:	N[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,4|H<1>}	120.6890	0.000	1	120.6890	0.000	1	120.6890	0.000	1	120.6890	0.000	1	119.9325	0.485	4	119.9325	0.485	4
643	217	542	0:SP2_SP2_SP3	C[6,6a]	N[6a]	N[5,6]	3:3:3:	3:3:4:	3:3:4:	N[5,6]-3:C[6,6a]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH)	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3){2|C<3>,3|C<4>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[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]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	112.2510	0.000	1	112.0217	0.119	4	112.0217	0.119	4	112.0003	0.109	6	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[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]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	111.9453	0.380	3	112.0217	0.119	4	112.0217	0.119	4	112.0003	0.109	6	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:O[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)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C){2|C<4>,3|C<3>}	111.6570	0.000	1	111.6570	0.000	1	111.9575	0.181	2	112.0003	0.109	6	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6a]-3:O[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)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N){2|C<4>,3|C<3>}	112.2580	0.000	1	112.2580	0.000	1	111.9575	0.181	2	112.0003	0.109	6	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,2|O<1>,4|C<4>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC){1|H<1>,2|C<3>,3|C<4>}	111.4903	0.675	4	111.4903	0.456	4	111.8170	0.514	14	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	112.9730	0.000	1	112.9730	0.000	1	111.8170	0.514	14	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CH)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CH){1|H<1>,2|C<4>,3|C<3>}	112.5690	0.000	1	112.5690	0.000	1	111.8170	0.514	14	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){1|C<2>,3|C<4>,4|C<3>}	111.3565	0.165	2	111.3258	0.108	5	111.8170	0.514	14	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	111.6310	0.000	1	111.3258	0.108	5	111.8170	0.514	14	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){3|C<4>,5|C<3>}	111.1425	0.491	2	111.3258	0.108	5	111.8170	0.514	14	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]C[6a]2){1|C<4>,8|C<3>}	112.4130	0.000	1	112.4130	0.000	1	111.8170	0.514	14	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	112.7580	0.000	1	112.7580	0.000	1	111.8170	0.514	14	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|H<1>,3|C<4>,4|C<3>}	112.1350	0.000	1	112.1350	0.000	1	111.8170	0.514	14	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H)	O[6](C[6,6a]C[6,6a]N[6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|F<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(B[6]O[6]FF){1|C<4>,3|C<3>}	114.9160	0.000	1	114.9160	0.000	1	114.9160	0.000	1	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC){1|H<1>,2|C<3>,3|C<4>}	111.0740	0.000	1	111.0740	0.000	1	111.7477	3.154	3	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CC){1|H<1>,2|C<3>,3|C<4>}	112.0845	2.372	2	112.0845	5.628	2	111.7477	3.154	3	111.9776	1.302	18	111.9833	0.986	24	111.9833	0.986	24
643	217	622	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	O[6]	3:2:2:	3:3:4:	3:4:	N[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CH)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	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>}	O[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|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>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	121.2940	0.000	1	121.2940	0.000	1	121.2940	0.000	1	121.4587	4.480	9	121.4587	4.480	9	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[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](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|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>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	118.2410	0.000	2	118.2410	0.000	2	118.2410	0.000	2	121.4587	4.480	9	121.4587	4.480	9	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	122.7860	0.000	1	122.7860	0.000	1	122.7860	0.000	1	121.4587	4.480	9	121.4587	4.480	9	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-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](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](N[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>,2|C<3>,2|H<1>,2|N<2>}	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>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	123.4097	0.083	3	123.4097	0.007	3	122.5132	1.947	5	121.4587	4.480	9	121.4587	4.480	9	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-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](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]N)(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|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>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	122.1030	0.000	1	121.1685	1.747	2	122.5132	1.947	5	121.4587	4.480	9	121.4587	4.480	9	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-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](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]N)(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<4>,3|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>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]N)(H){1|Br<1>,1|N<3>,3|C<3>}	120.2340	0.000	1	121.1685	1.747	2	122.5132	1.947	5	121.4587	4.480	9	121.4587	4.480	9	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	118.5270	0.333	4	118.5270	0.111	4	118.5270	0.111	4	118.1855	0.232	8	118.1855	0.232	8	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	118.1165	0.193	2	118.1165	0.037	2	117.8440	0.121	4	118.1855	0.232	8	118.1855	0.232	8	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.5715	0.168	2	117.5715	0.028	2	117.8440	0.121	4	118.1855	0.232	8	118.1855	0.232	8	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a,6a]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6,6a,6a]B[6,6a,6a]N[6,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]N[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6,6a,6a]B[6,6a,6a]N[6,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|H<1>,4|C<3>}	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]N[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	120.0900	0.093	2	120.0900	0.009	2	120.0900	0.009	2	120.0900	0.009	2	120.0900	0.009	2	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:O[6]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6])	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	118.1320	0.000	1	118.1320	0.000	1	118.1320	0.000	1	118.1320	0.000	1	122.2591	2.463	12	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	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)	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|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>}	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.4550	0.000	1	120.4550	0.000	1	121.9635	4.551	2	122.5942	1.536	6	122.2591	2.463	12	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	123.4720	0.000	1	123.4720	0.000	1	121.9635	4.551	2	122.5942	1.536	6	122.2591	2.463	12	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[3x6a]-3:C[6a]-3:	B[6,6,6a]-3:C[6a,6a]-3:B[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6,6a]B[6,6,6a]B[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N)	C[6a](C[6a,6a]C[3x6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6,6a]B[6,6,6a]B[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|B<3>,2|N<3>,3|C<3>}	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a,6a]C[3x6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|B<3>,2|C<3>}	121.9220	0.000	1	121.9220	0.000	1	121.9220	0.000	1	122.5942	1.536	6	122.2591	2.463	12	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6,6a]C[5,6,6a]C[6,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6,6a]C[5,6,6a]C[6,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	122.6470	0.000	1	122.6470	0.000	1	122.6470	0.000	1	122.5942	1.536	6	122.2591	2.463	12	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	123.5345	0.330	2	123.5345	0.109	2	123.5345	0.109	2	122.5942	1.536	6	122.2591	2.463	12	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	122.2591	2.463	12	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6,6a]B[6,6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6,6a]B[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,3|O<2>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H){1|B<3>,1|B<4>,1|H<1>,2|C<3>}	122.1220	0.000	1	122.1220	0.000	1	122.1220	0.000	1	122.1220	0.000	1	122.2591	2.463	12	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	122.7723	0.442	3	122.7723	0.195	3	122.7723	0.195	3	122.7723	0.195	3	122.2591	2.463	12	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,8|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2{10|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	120.6980	0.041	2	120.6980	0.002	2	120.6980	0.002	2	120.6980	0.002	2	120.6980	0.002	2	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[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>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]H)(H){1|B<3>,4|C<3>}	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]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)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	123.1310	0.000	1	123.1310	0.000	1	123.1310	0.000	1	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	120.9950	0.424	2	120.9950	0.180	2	121.7985	0.926	4	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	122.6020	0.129	2	122.6020	0.017	2	121.7985	0.926	4	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.8822	1.177	4	120.8822	1.385	4	120.8822	1.385	4	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	123.2390	0.368	2	123.2390	0.135	2	123.1032	0.661	6	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	123.0170	0.000	1	123.5090	0.210	3	123.1032	0.661	6	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	123.7550	0.238	2	123.5090	0.210	3	123.1032	0.661	6	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.6140	0.000	1	121.6140	0.000	1	123.1032	0.661	6	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.6325	0.036	2	121.7890	0.074	3	121.7890	0.074	3	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	122.1020	0.000	1	121.7890	0.074	3	121.7890	0.074	3	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.8470	0.000	1	121.8470	0.000	1	121.8095	0.003	2	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.7720	0.000	1	121.7720	0.000	1	121.8095	0.003	2	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:B[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	119.9087	0.207	3	119.9087	0.043	3	119.9087	0.043	3	121.7470	1.634	24	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(OC)	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	122.7687	0.857	3	122.7687	0.734	3	122.7687	0.734	3	122.7687	0.734	3	121.8606	1.609	27	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){4|C<3>,4|H<1>}	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>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	121.1960	3.277	2	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	121.1960	3.277	2	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[3x6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,5|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>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,6|C<3>}	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	119.2813	0.806	3	120.4352	2.186	6	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H){1|N<3>,2|H<1>,4|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>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	118.8330	0.000	1	118.8330	0.000	1	119.5740	1.098	2	119.2813	0.806	3	120.4352	2.186	6	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|P<4>,3|H<1>,4|C<3>}	120.3150	0.000	1	120.3150	0.000	1	119.5740	1.098	2	119.2813	0.806	3	120.4352	2.186	6	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	120.4352	2.186	6	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.0545	0.168	2	122.0545	0.028	2	122.0545	0.028	2	122.0545	0.028	2	120.4352	2.186	6	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	119.9980	0.122	2	119.9980	0.015	2	119.9980	0.015	2	119.9980	0.015	2	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	122.3253	0.260	4	122.3253	0.068	4	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	122.2467	0.221	6	122.2467	0.049	6	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	121.9905	0.344	2	121.9905	0.119	2	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	122.0825	0.631	24	122.1874	0.301	38	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	122.3672	0.310	14	122.1874	0.301	38	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	122.2480	0.105	2	122.1250	0.107	6	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	122.0635	0.398	4	122.1250	0.107	6	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	122.4840	0.300	2	122.4840	0.090	2	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	121.6940	0.047	2	121.6940	0.002	2	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	122.0331	0.294	8	122.0217	0.058	12	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	121.9990	0.092	4	122.0217	0.058	12	122.1562	0.198	72	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	123.1510	0.000	1	122.9090	0.117	2	122.8511	0.703	7	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	122.6670	0.000	1	122.9090	0.117	2	122.8511	0.703	7	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	123.2657	0.295	4	123.2657	0.087	4	122.8511	0.703	7	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.0770	0.000	1	121.0770	0.000	1	122.8511	0.703	7	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H){2|B<3>,2|H<1>,3|C<3>}	120.0940	0.000	1	120.0940	0.000	1	121.8653	0.853	7	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|B<3>,2|H<1>,4|C<3>}	122.1605	0.540	6	122.1605	0.292	6	121.8653	0.853	7	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	121.1620	0.358	4	121.1620	0.128	4	120.8454	1.644	16	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	119.2745	0.485	4	119.2745	0.235	4	120.8454	1.644	16	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	119.2580	0.000	1	119.2580	0.000	1	120.8454	1.644	16	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	120.8280	0.000	1	120.8280	0.000	1	120.8454	1.644	16	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	121.1820	0.000	1	121.1820	0.000	1	120.8454	1.644	16	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	121.1750	0.000	1	121.1750	0.000	1	120.8454	1.644	16	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	121.5280	0.000	1	122.3342	0.565	4	120.8454	1.644	16	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	122.3050	0.544	2	122.3342	0.565	4	120.8454	1.644	16	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|B<3>,1|H<1>,2|C<3>}	123.1990	0.000	1	122.3342	0.565	4	120.8454	1.644	16	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.7487	1.161	3	119.7487	1.348	3	119.7487	1.348	3	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|N<3>,2|H<1>,4|C<3>}	121.3345	0.540	2	121.3345	0.291	2	121.3345	0.291	2	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	122.0110	0.467	2	122.0110	0.218	2	122.0110	0.218	2	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<2>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	118.5420	0.000	1	118.5420	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3475	0.240	2	119.6030	0.225	3	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.1140	0.000	1	119.6030	0.225	3	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<2>,1|S<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.1310	0.000	1	120.1310	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.2550	0.000	1	118.9385	0.200	2	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.6220	0.000	1	118.9385	0.200	2	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9240	0.000	1	119.9240	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.7380	0.140	3	120.7380	0.020	3	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.1660	0.000	1	119.1660	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.6410	0.000	1	120.6410	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.1210	0.000	1	120.1487	0.058	10	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.0553	0.126	3	120.1487	0.058	10	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3305	0.046	2	120.1487	0.058	10	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.2605	0.473	2	120.1487	0.058	10	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.2380	0.000	1	120.1487	0.058	10	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7800	0.000	1	120.1487	0.058	10	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|Cl<1>,1|O<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	117.0860	0.000	1	117.0860	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.7680	0.000	1	120.3074	0.141	5	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.5450	0.000	1	120.3074	0.141	5	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.3380	0.000	1	120.3074	0.141	5	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.0630	0.000	1	120.3074	0.141	5	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8230	0.000	1	120.3074	0.141	5	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9120	0.000	1	120.6877	0.342	4	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.7535	0.039	2	120.6877	0.342	4	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.3320	0.000	1	120.6877	0.342	4	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.6950	0.061	3	120.6950	0.004	3	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.8240	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3290	0.256	2	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.7700	1.235	2	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2160	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3700	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.2090	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5718	0.481	4	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.2590	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.3760	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.0790	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.0185	0.148	2	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.8000	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.7800	0.327	7	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.7700	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.4320	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.4750	0.358	3	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9580	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3850	0.000	1	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.2167	0.311	3	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9915	0.045	2	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1737	0.805	8	120.2024	1.046	45	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	118.6510	0.000	1	119.9630	0.637	8	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	121.1430	0.000	1	119.9630	0.637	8	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	119.9850	0.518	6	119.9630	0.637	8	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|P<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(H){2|H<1>,3|C<3>}	120.8100	0.000	1	119.7937	0.881	3	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(H){2|H<1>,3|C<3>}	119.2855	0.460	2	119.7937	0.881	3	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<3>,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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.7620	0.000	1	118.7620	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.6420	0.000	1	120.7206	1.056	7	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.4117	0.434	3	120.7206	1.056	7	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7970	0.000	1	120.7206	1.056	7	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.2680	0.000	1	120.7206	1.056	7	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1020	0.000	1	120.7206	1.056	7	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	120.1200	0.000	1	120.1200	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	121.0530	0.000	1	120.9760	0.012	2	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.8990	0.000	1	120.9760	0.012	2	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	121.1060	0.000	1	121.0965	0.000	2	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	121.0870	0.000	1	121.0965	0.000	2	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.7460	0.000	1	121.3940	0.318	18	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.2467	0.353	3	121.3940	0.318	18	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.1610	0.000	1	121.3940	0.318	18	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.4966	0.291	5	121.3940	0.318	18	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.6202	0.465	8	121.3940	0.318	18	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.2560	0.000	1	122.2560	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	120.4870	0.000	1	120.4870	0.000	1	120.3708	0.980	125	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|Cl<1>,2|C<3>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(O){2|H<1>,3|C<3>}	119.8260	0.000	1	119.8260	0.000	1	119.8260	0.000	1	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H)	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	119.5703	0.175	6	119.5703	0.030	6	119.5703	0.030	6	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]H)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6a,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	120.9495	0.626	2	120.9495	0.392	2	120.9495	0.392	2	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.9230	2.578	2	119.9230	6.647	2	119.9230	6.647	2	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.7080	0.737	4	120.7080	0.543	4	120.7080	0.543	4	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H){1|H<1>,1|S<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	119.2750	0.000	1	119.2750	0.000	1	119.4940	0.096	2	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.7130	0.000	1	119.7130	0.000	1	119.4940	0.096	2	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|As<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|As<3>,2|C<3>,2|H<1>}	117.5613	0.317	12	117.6834	0.214	16	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|As<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|As<2>,2|C<3>,2|H<1>}	118.0497	0.680	4	117.6834	0.214	16	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	120.3950	0.000	1	120.6125	0.095	2	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.8300	0.000	1	120.6125	0.095	2	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	118.2690	0.000	1	118.2690	0.000	1	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0655	0.162	2	119.9754	2.328	10	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.1485	2.118	2	119.9754	2.328	10	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.2175	1.367	4	119.9754	2.328	10	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7400	0.000	1	119.9754	2.328	10	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	118.7160	0.000	1	119.9754	2.328	10	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.3100	0.257	2	121.1577	0.103	3	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.8530	0.000	1	121.1577	0.103	3	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	119.8025	0.272	2	119.8025	0.074	2	118.9783	2.508	34	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.9630	0.000	1	121.9630	0.000	1	121.9630	0.000	1	120.7734	2.071	288	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,2|B<3>,2|C<3>}	118.6090	0.723	11	118.6090	0.523	11	118.5922	0.478	12	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){2|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,2|B<3>,2|C<3>}	118.4080	0.000	1	118.4080	0.000	1	118.5922	0.478	12	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	124.8590	0.000	1	124.8590	0.000	1	124.8590	0.000	1	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(OC){2|H<1>,5|C<3>}	118.3040	0.000	1	118.3040	0.000	1	118.3040	0.000	1	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.4195	0.450	2	118.4195	0.203	2	118.9657	0.431	6	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.6190	0.000	1	119.6190	0.000	1	118.9657	0.431	6	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	119.8640	0.000	1	119.8640	0.000	1	118.9657	0.431	6	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.6500	0.000	1	118.7360	0.015	2	118.9657	0.431	6	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.8220	0.000	1	118.7360	0.015	2	118.9657	0.431	6	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	119.6920	0.000	1	119.6920	0.000	1	119.6920	0.000	1	119.0360	2.234	21	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(B[5]O[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H){2|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	121.1030	0.000	1	121.1030	0.000	1	121.1030	0.000	1	121.4561	0.451	7	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(COO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(COO){2|H<1>,3|C<3>}	121.0560	0.000	1	121.0560	0.000	1	121.4535	0.316	2	121.4561	0.451	7	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	121.8510	0.000	1	121.8510	0.000	1	121.4535	0.316	2	121.4561	0.451	7	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	121.2520	0.386	2	121.2520	0.149	2	121.2520	0.149	2	121.4561	0.451	7	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]B[6a]H){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1	121.4561	0.451	7	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(COO)	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|S<2>,2|O<1>,3|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(COO){2|H<1>,5|C<3>}	122.7720	0.000	1	122.7720	0.000	1	122.7720	0.000	1	121.4561	0.451	7	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	122.5700	0.133	2	122.5700	0.018	2	120.9664	1.890	7	120.5552	1.466	11	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.5300	0.000	1	118.5300	0.000	1	120.9664	1.890	7	120.5552	1.466	11	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	120.7310	0.000	1	120.7310	0.000	1	120.9664	1.890	7	120.5552	1.466	11	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	121.0350	0.000	1	121.0350	0.000	1	120.9664	1.890	7	120.5552	1.466	11	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|H<1>,3|C<3>}	120.6645	0.029	2	120.6645	0.001	2	120.9664	1.890	7	120.5552	1.466	11	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	119.8590	0.000	1	119.8590	0.000	1	119.8355	0.022	4	120.5552	1.466	11	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	119.7580	0.192	2	119.7580	0.037	2	119.8355	0.022	4	120.5552	1.466	11	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	119.9670	0.000	1	119.9670	0.000	1	119.8355	0.022	4	120.5552	1.466	11	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){7|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]N[6a])(H){1|H<1>,1|N<2>,5|C<3>}	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]N){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<2>,2|C<3>}	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	120.7940	0.000	1	120.7940	0.000	1	119.6698	2.099	5	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,3|C<3>}	119.5500	0.000	1	119.5500	0.000	1	119.6698	2.099	5	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	118.2745	0.183	2	118.2745	0.034	2	119.6698	2.099	5	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.4560	0.000	1	121.4560	0.000	1	119.6698	2.099	5	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,2|C<3>,3|N<2>}	124.0900	0.000	1	123.3948	0.241	5	123.3948	0.241	5	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,3|N<2>}	123.7320	0.000	1	123.3948	0.241	5	123.3948	0.241	5	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,4|N<2>}	123.0840	0.000	1	123.3948	0.241	5	123.3948	0.241	5	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,4|N<2>}	123.0340	0.091	2	123.3948	0.241	5	123.3948	0.241	5	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	124.7180	0.000	1	124.5095	0.087	2	124.5095	0.087	2	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,2|F<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	124.3010	0.000	1	124.5095	0.087	2	124.5095	0.087	2	121.9884	4.849	14	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,1|O<2>,3|C<3>}	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	122.6865	0.416	2	122.6865	0.173	2	122.6865	0.173	2	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Ir<6>,1|H<1>,1|N<4>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]Ir)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]B[6a]C[6])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)(C[6]C[6]N[6])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]B[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)(C[6]C[6]N[6]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	123.7190	0.622	2	123.7190	0.387	2	123.7190	0.387	2	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	124.2020	0.000	1	124.2020	0.000	1	124.2020	0.000	1	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]H)(H){5|C<3>}	126.4200	0.000	1	126.4200	0.000	1	126.4200	0.000	1	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	120.7210	0.117	4	120.7210	0.014	4	121.0013	0.201	6	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.5620	0.136	2	121.5620	0.018	2	121.0013	0.201	6	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|N<3>,1|O<1>,5|C<3>}	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.8350	0.000	1	121.8350	0.000	1	122.4657	0.317	3	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	122.6460	0.000	1	122.6460	0.000	1	122.4657	0.317	3	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	122.9160	0.000	1	122.9160	0.000	1	122.4657	0.317	3	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,1|S<2>,4|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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.9950	0.000	2	119.9950	0.000	2	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.7973	0.310	3	120.2488	0.441	5	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	120.7810	0.000	1	120.2488	0.441	5	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.0710	0.000	1	120.2488	0.441	5	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	119.1290	0.000	1	119.1290	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	117.9000	0.000	1	119.5833	0.562	8	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.8237	0.341	7	119.5833	0.562	8	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	120.6310	0.000	1	120.1960	0.378	2	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.7610	0.000	1	120.1960	0.378	2	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	121.1550	0.000	1	121.1550	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|O<1>,2|H<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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	120.1780	0.000	1	120.1780	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|H<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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.0750	0.000	1	120.0750	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|H<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]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.6120	0.000	1	121.6120	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<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|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.5455	0.743	2	121.1248	0.463	6	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.4410	0.000	1	121.1248	0.463	6	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.1210	0.000	1	121.1248	0.463	6	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.4290	0.000	1	121.1248	0.463	6	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.6670	0.000	1	121.1248	0.463	6	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,1|O<2>,2|H<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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	120.5140	0.000	1	120.5140	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.8395	0.179	2	120.3907	0.464	4	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.6730	0.000	1	120.3907	0.464	4	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.2110	0.000	1	120.3907	0.464	4	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,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]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	121.4000	0.000	1	121.4000	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H){4|C<3>}	122.1170	0.000	1	122.1170	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.9560	0.000	1	121.0050	0.004	3	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|Si<4>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.9790	0.000	1	121.0050	0.004	3	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{2|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.0800	0.000	1	121.0050	0.004	3	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.7720	0.000	1	121.7720	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	120.6100	0.000	1	120.6100	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.0130	0.000	1	119.0130	0.000	1	120.4194	0.788	41	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]N){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,3|C<3>}	121.3910	0.000	1	121.3910	0.000	1	121.3910	0.000	1	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,3|C<3>}	120.1370	0.000	1	120.1370	0.000	1	120.0880	0.005	2	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	120.0390	0.000	1	120.0390	0.000	1	120.0880	0.005	2	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.7950	0.000	1	120.7950	0.000	1	120.7950	0.000	1	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H){2|B<3>,5|C<3>}	117.8672	0.459	4	117.8672	0.211	4	118.7812	2.152	6	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)(H){1|N<3>,6|C<3>}	120.6090	0.321	2	120.6090	0.103	2	118.7812	2.152	6	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	119.0155	0.374	2	119.8446	0.364	8	120.5042	1.869	13	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|N<3>,3|C<3>}	120.1210	0.340	6	119.8446	0.364	8	120.5042	1.869	13	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.7180	0.000	1	118.7180	0.000	1	120.5042	1.869	13	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,4|C<3>}	122.6880	0.000	1	122.6880	0.000	1	120.5042	1.869	13	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	122.4860	0.000	1	122.4860	0.000	1	120.5042	1.869	13	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.5540	0.000	1	121.5540	0.000	1	120.5042	1.869	13	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	122.3510	0.000	1	122.3510	0.000	1	120.5042	1.869	13	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[3x6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.0720	0.700	2	121.0720	0.490	2	121.0720	0.490	2	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](N[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	121.0600	0.000	1	121.0600	0.000	1	121.0600	0.000	1	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.7280	0.000	1	121.0467	0.106	3	121.0467	0.106	3	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.2060	0.243	2	121.0467	0.106	3	121.0467	0.106	3	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	120.7254	2.142	89	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.5800	0.000	1	122.5800	0.000	1	122.3285	0.127	2	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.0770	0.000	1	122.0770	0.000	1	122.3285	0.127	2	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[3x6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]N)(H)	C[6a,6a](C[3x6a]C[3x6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]N)(H){1|C<4>,4|C<3>}	122.2030	0.000	1	122.2030	0.000	1	121.9684	0.597	5	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.5790	0.000	1	121.5790	0.000	1	121.9684	0.597	5	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.1750	0.000	1	122.0200	1.086	3	121.9684	0.597	5	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.9760	0.000	1	122.0200	1.086	3	121.9684	0.597	5	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.9090	0.000	1	122.0200	1.086	3	121.9684	0.597	5	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.7155	0.128	2	122.7155	0.016	2	122.0082	0.238	14	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.3990	0.000	1	121.6330	0.110	2	122.0082	0.238	14	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.8670	0.000	1	121.6330	0.110	2	122.0082	0.238	14	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a,6a]N)(H)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a,6a]N)(H){1|C<4>,4|C<3>}	121.3270	0.000	1	121.3270	0.000	1	122.0082	0.238	14	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.2205	0.159	4	122.0101	0.152	9	122.0082	0.238	14	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	121.7643	0.485	4	122.0101	0.152	9	122.0082	0.238	14	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	122.1520	0.000	1	122.0101	0.152	9	122.0082	0.238	14	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H){2|B<3>,2|C<4>,3|C<3>}	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	121.3990	0.000	1	121.3990	0.000	1	122.3782	0.438	4	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	122.6945	0.185	2	122.7047	0.017	3	122.3782	0.438	4	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	122.7250	0.000	1	122.7047	0.017	3	122.3782	0.438	4	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	121.0247	0.228	3	121.0247	0.052	3	121.0247	0.052	3	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|B<3>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|B<3>,1|C<4>,1|N<3>,4|C<3>}	120.8750	0.000	1	120.8750	0.000	1	122.0266	0.250	11	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	122.1418	0.341	10	122.1418	0.116	10	122.0266	0.250	11	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H){3|C<3>,4|C<4>}	119.9390	0.000	1	119.9390	0.000	1	119.9390	0.000	1	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	120.5520	0.023	2	120.5520	0.001	2	120.5520	0.001	2	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	123.8870	0.252	3	123.8870	0.064	3	123.8870	0.064	3	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,2|C<3>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	120.6810	0.505	2	120.6810	0.255	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.2060	0.000	1	122.2060	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	119.2120	0.000	1	119.2120	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.7980	0.000	1	119.7980	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	122.4180	0.000	1	120.5870	1.505	4	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9985	0.203	2	120.5870	1.505	4	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9330	0.000	1	120.5870	1.505	4	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.2885	0.235	2	119.2885	0.055	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.4805	0.906	2	121.4805	0.820	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8470	0.000	1	120.2390	0.307	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.6310	0.000	1	120.2390	0.307	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.9840	0.000	1	121.1395	0.048	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.2950	0.000	1	121.1395	0.048	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.3748	0.328	13	121.3397	0.116	14	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.8840	0.000	1	121.3397	0.116	14	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.1010	0.000	1	120.1010	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.3740	0.000	1	121.3405	1.868	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	122.3070	0.000	1	121.3405	1.868	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	120.9560	0.000	1	120.9560	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	121.2220	0.000	1	121.2220	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	120.9520	0.000	1	120.9520	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.2817	0.342	3	121.2817	0.117	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|F<1>,3|C<3>}	120.7520	0.139	2	120.7520	0.019	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	120.9660	0.260	2	120.9660	0.068	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.8950	0.000	1	121.4025	0.174	4	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.4090	0.137	2	121.4025	0.174	4	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	121.8970	0.000	1	121.4025	0.174	4	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	120.8411	0.380	32	120.7810	0.259	33	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	118.8580	0.000	1	120.7810	0.259	33	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.7975	0.359	2	121.7975	0.129	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|C<4>,1|O<1>,3|C<3>}	121.3560	0.000	1	121.3560	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.8430	0.000	1	121.8430	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.7410	0.143	3	121.1013	0.339	10	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.1260	0.000	1	121.1013	0.339	10	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.3880	0.000	1	121.1013	0.339	10	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.7900	0.000	1	121.1013	0.339	10	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	121.4430	0.000	1	121.1013	0.339	10	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.6810	0.430	3	121.1013	0.339	10	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.4830	0.000	1	120.7867	0.450	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	120.1450	0.000	1	120.7867	0.450	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.7320	0.000	1	120.7867	0.450	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.3460	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.1850	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.2610	0.048	2	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.0950	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	120.9050	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.4093	0.205	3	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.4520	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.3497	0.454	3	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	121.3130	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.9580	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	121.3660	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.8970	0.154	2	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.7930	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.5300	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.1108	0.437	6	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.9560	0.000	1	121.0429	0.557	27	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.6520	0.270	2	121.5427	0.072	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	121.3240	0.000	1	121.5427	0.072	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.3110	0.000	1	121.1560	0.060	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	120.8730	0.000	1	121.1560	0.060	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	121.2840	0.000	1	121.1560	0.060	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.4610	0.000	1	122.4610	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.4500	0.000	1	121.4500	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.9330	0.000	1	120.9330	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.3857	0.482	3	122.5101	0.484	21	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	120.9410	0.000	1	122.5101	0.484	21	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.6867	0.234	7	122.5101	0.484	21	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.3630	0.000	1	122.5101	0.484	21	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.9382	0.305	9	122.5101	0.484	21	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.0980	0.051	2	123.0980	0.003	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.5360	0.397	3	122.5360	0.157	3	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){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]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.7100	0.000	1	120.7100	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.4105	0.078	2	120.4105	0.006	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	121.7720	0.045	2	122.4766	0.321	16	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	121.7200	0.000	1	122.4766	0.321	16	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.5020	0.301	4	122.4766	0.321	16	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.8700	0.000	1	122.4766	0.321	16	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.7144	0.636	7	122.4766	0.321	16	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4820	0.000	1	122.4766	0.321	16	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|C<4>,1|F<1>,1|N<2>,2|C<3>}	121.9840	0.000	1	121.9840	0.000	1	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<2>,2|C<3>}	122.5525	0.503	2	122.6713	0.298	10	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.0290	0.247	3	122.6713	0.298	10	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.1042	0.163	5	122.6713	0.298	10	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.3330	0.000	1	120.9425	0.743	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	121.5520	0.000	1	120.9425	0.743	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	122.7890	0.188	2	122.7890	0.035	2	121.4312	0.932	194	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){2|C<3>,4|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	122.8325	0.354	2	122.8325	0.126	2	122.8325	0.126	2	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.6342	0.349	6	119.6342	0.122	6	119.6342	0.122	6	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.8630	0.000	1	120.8630	0.000	1	120.7730	0.007	3	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.7030	0.000	1	120.7030	0.000	1	120.7730	0.007	3	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.7530	0.000	1	120.7530	0.000	1	120.7730	0.007	3	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6,6a]C)(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.7180	0.000	1	120.7180	0.000	1	120.7180	0.000	1	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	120.0460	0.340	4	120.3445	0.283	6	120.3445	0.283	6	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	120.9415	0.011	2	120.3445	0.283	6	120.3445	0.283	6	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|C<3>,7|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	121.3290	0.000	1	121.3290	0.000	1	121.0880	0.116	2	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3){3|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	120.8470	0.000	1	120.8470	0.000	1	121.0880	0.116	2	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.1947	0.099	3	121.1947	0.010	3	121.1947	0.010	3	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[5,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[5,6a]H){1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	117.9120	0.000	1	117.9120	0.000	1	117.9120	0.000	1	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	120.8000	0.130	2	120.8000	0.017	2	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	120.2455	0.615	4	120.2915	0.219	11	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|C<4>}	120.2824	0.319	5	120.2915	0.219	11	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,2|B<3>,2|C<3>}	120.4060	0.788	2	120.2915	0.219	11	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	118.6650	0.000	1	118.6650	0.000	1	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(H){1|C<4>,4|C<3>}	120.8146	0.268	10	120.8146	0.072	10	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.4565	1.095	2	120.4271	0.380	11	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.4440	0.074	2	120.4271	0.380	11	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.6996	0.151	7	120.4271	0.380	11	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	119.9995	0.357	2	119.9995	0.128	2	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.4310	0.197	2	120.4310	0.039	2	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	120.7610	0.000	1	120.7610	0.000	1	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	118.9070	0.000	1	118.9070	0.000	1	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.1000	0.000	1	121.3360	0.142	30	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	121.3590	0.000	1	121.3360	0.142	30	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.3793	0.306	28	121.3360	0.142	30	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	121.6170	0.000	1	121.6170	0.000	1	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.7890	0.024	2	121.5262	0.244	18	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	121.7540	0.624	2	121.5262	0.244	18	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.5989	0.439	14	121.5262	0.244	18	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	122.8436	0.349	5	122.8436	0.122	5	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.7300	0.000	1	122.7300	0.000	1	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	122.7270	0.000	1	122.7270	0.000	1	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	124.1620	0.000	1	122.7797	1.216	6	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	121.9907	0.542	3	122.7797	1.216	6	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	124.0560	0.000	1	122.7797	1.216	6	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	122.4880	0.000	1	122.7797	1.216	6	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	121.8250	0.313	2	121.8250	0.098	2	121.2001	0.882	105	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Cl){1|C<4>,1|F<1>,3|C<3>}	124.5300	0.000	1	124.5300	0.000	1	123.6940	1.398	2	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(Cl){1|F<1>,3|C<3>,3|C<4>}	122.8580	0.000	1	122.8580	0.000	1	123.6940	1.398	2	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]F){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	121.6997	0.471	9	121.6997	0.222	9	121.6997	0.222	9	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|F<1>,3|C<3>}	121.0000	0.000	1	121.0000	0.000	1	120.3457	0.309	41	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	121.4480	0.000	1	121.4480	0.000	1	120.3457	0.309	41	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	120.8820	0.000	1	120.3007	0.280	39	120.3457	0.309	41	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	120.2854	0.527	38	120.3007	0.280	39	120.3457	0.309	41	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.9790	0.279	3	121.9790	0.078	3	121.9790	0.078	3	121.2975	1.040	424	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	120.0610	0.000	1	120.0610	0.000	1	122.1393	3.241	3	122.3000	0.869	15	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	123.1785	0.056	2	123.1785	0.003	2	122.1393	3.241	3	122.3000	0.869	15	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(OC){1|C<4>,1|F<1>,3|C<3>}	123.0200	0.000	1	123.0200	0.000	1	122.4297	0.453	11	122.3000	0.869	15	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|C<4>,1|F<1>,3|C<3>}	122.4980	0.457	2	122.4980	0.209	2	122.4297	0.453	11	122.3000	0.869	15	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC){1|F<1>,3|C<3>,3|C<4>}	122.2671	0.776	7	122.2671	0.602	7	122.4297	0.453	11	122.3000	0.869	15	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC){1|F<1>,3|C<3>,3|C<4>}	122.8410	0.000	1	122.8410	0.000	1	122.4297	0.453	11	122.3000	0.869	15	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC)	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC){1|C<4>,1|F<1>,5|C<3>}	121.3550	0.000	1	121.3550	0.000	1	121.3550	0.000	1	122.3000	0.869	15	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C){1|H<1>,1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.9100	0.000	1	123.9100	0.000	1	123.9100	0.000	1	123.2012	0.771	5	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	122.4850	0.000	1	122.4850	0.000	1	122.3575	0.033	2	123.2012	0.771	5	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COS)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COS){1|C<4>,1|H<1>,3|C<3>}	122.2300	0.000	1	122.2300	0.000	1	122.3575	0.033	2	123.2012	0.771	5	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	123.1220	0.000	1	123.1220	0.000	1	123.1220	0.000	1	123.2012	0.771	5	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|F<1>,3|C<3>}	124.2590	0.000	1	124.2590	0.000	1	124.2590	0.000	1	123.2012	0.771	5	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|C<4>,1|F<1>,3|C<3>}	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.6900	0.000	1	123.6900	0.000	1	123.6900	0.000	1	122.0400	2.116	3	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	122.0400	2.116	3	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	121.4870	0.000	1	121.4870	0.000	1	121.4870	0.000	1	122.0400	2.116	3	121.0505	1.803	882	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,7|C<3>}	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.0380	0.116	2	117.0380	0.013	2	117.0380	0.013	2	117.3856	0.130	5	117.3856	0.130	5	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.7440	0.096	2	117.7440	0.009	2	117.6173	0.053	3	117.3856	0.130	5	117.3856	0.130	5	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)2	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)2{4|H<1>,7|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.3640	0.000	1	117.3640	0.000	1	117.6173	0.053	3	117.3856	0.130	5	117.3856	0.130	5	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,7|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	117.0940	1.121	2	117.0940	1.258	2	117.0940	1.258	2	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]C)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.2745	0.177	2	116.2745	0.032	2	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]C)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.5670	0.000	1	116.5670	0.000	1	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]C)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.2430	0.223	2	117.2430	0.050	2	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.5460	0.000	1	118.5460	0.000	1	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.6420	0.000	1	116.6420	0.000	1	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|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>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.2680	0.000	1	117.2680	0.000	1	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,7|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.9340	0.000	1	117.9340	0.000	1	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.8567	0.056	3	117.8567	0.003	3	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]2)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.3145	0.592	2	117.3145	0.350	2	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	120.6550	0.000	1	120.6550	0.000	1	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]2)(C[6a]C[6a]I)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|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>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	117.6690	0.000	1	117.1800	0.478	2	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]2)(C[6a]C[6a]I)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|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>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	116.6910	0.000	1	117.1800	0.478	2	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]2)2	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|N<2>,1|O<1>,2|H<1>,7|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.7100	0.000	1	119.7100	0.000	1	117.6064	1.311	18	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	117.4195	1.588	21	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[3x6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]B[3x6a])(C[6a]C[6a]C)2	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[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](N[6a,6a]C[6a,6a]B[3x6a])(C[6a]C[6a]C)2{1|B<4>,1|C<2>,1|N<3>,2|H<1>,3|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[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	119.6725	0.589	2	119.6725	0.347	2	119.6725	0.347	2	119.6725	0.347	2	117.6154	1.880	23	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]2){3|H<1>,4|C<3>}	118.1670	0.000	1	118.1670	0.000	1	118.1670	0.000	1	118.1670	0.000	1	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a])	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	118.9730	0.000	1	117.7360	1.667	3	118.0821	0.691	7	118.3414	0.646	17	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	117.1175	1.019	2	117.7360	1.667	3	118.0821	0.691	7	118.3414	0.646	17	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|H<1>,1|O<1>,5|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[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	118.6650	0.000	1	118.4247	0.051	3	118.0821	0.691	7	118.3414	0.646	17	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|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[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	118.3930	0.000	1	118.4247	0.051	3	118.0821	0.691	7	118.3414	0.646	17	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	118.2160	0.000	1	118.4247	0.051	3	118.0821	0.691	7	118.3414	0.646	17	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|Si<4>,1|H<1>,1|O<1>,5|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>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	118.0930	0.000	1	118.0930	0.000	1	118.0821	0.691	7	118.3414	0.646	17	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	116.9440	0.000	1	118.4628	0.634	9	118.5228	0.600	10	118.3414	0.646	17	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	118.6526	0.595	8	118.4628	0.634	9	118.5228	0.600	10	118.3414	0.646	17	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	119.0630	0.000	1	119.0630	0.000	1	118.5228	0.600	10	118.3414	0.646	17	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.1910	0.000	1	119.1910	0.000	1	119.2225	0.002	2	118.5325	0.921	4	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|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>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.2540	0.000	1	119.2540	0.000	1	119.2225	0.002	2	118.5325	0.921	4	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,3|H<1>,5|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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.8425	0.926	2	117.8425	0.857	2	117.8425	0.857	2	118.5325	0.921	4	118.5552	1.418	24	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){3|C<3>,3|H<1>}	118.7810	0.000	1	118.7810	0.000	1	117.2788	3.135	8	117.2788	3.135	8	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|S<4>,2|H<1>,3|C<3>}	116.1475	2.420	2	116.1475	5.858	2	117.2788	3.135	8	117.2788	3.135	8	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	115.1450	0.000	1	115.1450	0.000	1	117.2788	3.135	8	117.2788	3.135	8	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	116.2340	0.000	1	117.1375	1.633	2	117.2788	3.135	8	117.2788	3.135	8	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	118.0410	0.000	1	117.1375	1.633	2	117.2788	3.135	8	117.2788	3.135	8	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	118.8280	0.000	1	118.8280	0.000	1	117.2788	3.135	8	117.2788	3.135	8	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,5|C<3>}	118.9060	0.000	1	118.9060	0.000	1	117.2788	3.135	8	117.2788	3.135	8	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6a]N[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.4890	0.000	1	120.4890	0.000	1	120.0375	0.408	2	120.0110	0.206	3	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	119.5860	0.000	1	119.5860	0.000	1	120.0375	0.408	2	120.0110	0.206	3	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<3>,2|H<1>,3|C<3>}	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	120.0110	0.206	3	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:4:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<4>,2|H<1>,3|C<3>}	119.0073	0.548	3	119.0073	0.301	3	118.8887	0.313	10	118.8887	0.313	10	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:4:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<4>,2|H<1>,3|C<3>}	118.8379	0.600	7	118.8379	0.360	7	118.8887	0.313	10	118.8887	0.313	10	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:1:	3:2:2:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2){5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:1:	3:3:3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){3|C<3>,3|H<1>}	116.4950	0.000	1	116.4950	0.000	1	116.4950	0.000	1	116.4950	0.000	1	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<3>,2|H<1>,3|C<3>}	119.0750	0.457	4	119.0750	0.209	4	119.0750	0.209	4	119.0750	0.209	4	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,6|C<3>}	117.0490	0.461	2	117.0490	0.213	2	117.0490	0.213	2	117.0490	0.213	2	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	115.1985	0.247	2	115.1985	0.061	2	115.1985	0.061	2	115.1985	0.061	2	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){3|C<3>,3|H<1>}	114.0500	0.000	1	114.0500	0.000	1	114.0500	0.000	1	114.0500	0.000	1	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	116.9475	0.933	2	116.9475	0.870	2	117.3416	1.631	5	117.3416	1.631	5	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2){3|C<3>,3|H<1>}	115.9150	0.000	1	115.9150	0.000	1	117.3416	1.631	5	117.3416	1.631	5	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){3|C<3>,3|H<1>}	119.1030	0.000	1	119.1030	0.000	1	117.3416	1.631	5	117.3416	1.631	5	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){3|C<3>,3|H<1>}	117.7950	0.000	1	117.7950	0.000	1	117.3416	1.631	5	117.3416	1.631	5	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,3|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>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H){1|H<1>,3|C<3>}	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(F){1|C<4>,3|C<3>}	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	120.0275	1.833	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	120.7200	0.000	1	120.7200	0.000	1	119.9165	1.887	10	120.0275	1.833	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	121.3240	0.000	1	121.3240	0.000	1	119.9165	1.887	10	120.0275	1.833	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	120.8370	0.625	2	120.8370	0.391	2	119.9165	1.887	10	120.0275	1.833	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	119.7020	0.000	1	119.6547	0.031	3	119.9165	1.887	10	120.0275	1.833	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|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[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	119.6310	0.240	2	119.6547	0.031	3	119.9165	1.887	10	120.0275	1.833	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	120.0310	0.000	1	120.0310	0.000	1	119.9165	1.887	10	120.0275	1.833	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	119.9970	0.000	1	119.9970	0.000	1	119.9165	1.887	10	120.0275	1.833	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,1|S<2>,2|H<1>,3|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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	116.4550	0.000	1	116.4550	0.000	1	119.9165	1.887	10	120.0275	1.833	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,4|C<3>}	118.9490	0.348	2	118.9490	0.121	2	118.9490	0.121	2	119.5570	3.308	4	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	119.5570	3.308	4	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,4|C<3>}	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	119.5570	3.308	4	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<4>,2|H<1>,3|C<3>}	119.1210	0.000	1	119.1210	0.000	1	119.1210	0.000	1	119.1210	0.000	1	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	2:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.3275	0.637	2	119.3275	0.406	2	119.3407	1.632	4	119.3407	1.632	4	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	2:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.3540	2.118	2	119.3540	4.488	2	119.3407	1.632	4	119.3407	1.632	4	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	113.9942	0.465	4	113.9942	0.216	4	113.9942	0.216	4	113.9942	0.216	4	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H){5|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	112.0420	0.000	1	112.0420	0.000	1	112.0420	0.000	1	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){3|H<1>,4|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,4|H<1>}	118.6410	0.478	2	118.6410	0.228	2	118.6410	0.228	2	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	115.5490	0.836	2	115.5490	0.699	2	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	114.3240	0.000	1	114.3240	0.000	1	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	113.4130	0.000	1	113.4130	0.000	1	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	115.5795	0.006	2	115.5795	0.000	2	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	116.2500	0.000	1	116.2500	0.000	1	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	116.1340	0.000	1	115.0970	2.151	2	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	114.0600	0.000	1	115.0970	2.151	2	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|P<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|P<4>,3|C<3>,3|H<1>}	112.0910	0.528	2	112.0910	0.278	2	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	114.2040	0.000	1	115.2065	2.010	2	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	116.2090	0.000	1	115.2065	2.010	2	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	113.7190	0.000	1	113.7190	0.000	1	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	117.8940	0.000	1	117.8648	0.151	5	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	117.8575	0.448	4	117.8648	0.151	5	115.4777	3.718	19	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	116.9090	0.000	1	116.9090	0.000	1	115.7690	1.453	11	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	117.7870	0.000	1	117.7870	0.000	1	115.7690	1.453	11	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	115.9177	0.548	3	115.9177	0.300	3	115.7690	1.453	11	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	116.4785	0.248	2	116.4785	0.062	2	115.7690	1.453	11	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]S){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	114.0925	0.128	2	114.0925	0.016	2	115.7690	1.453	11	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2{1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	114.4900	0.000	1	114.4900	0.000	1	115.7690	1.453	11	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,3|C<3>,3|H<1>}	115.3780	0.000	1	115.3780	0.000	1	115.7690	1.453	11	115.6624	3.541	33	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	114.9640	0.000	1	114.9640	0.000	1	117.7300	15.302	2	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	120.4960	0.000	1	120.4960	0.000	1	117.7300	15.302	2	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]F)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(F)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]F)2{2|F<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(F){1|N<2>,2|C<3>,2|F<1>}	121.0815	0.295	2	121.0815	0.087	2	121.0815	0.087	2	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.7145	0.125	2	119.7145	0.016	2	119.4701	0.799	14	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.9120	0.946	2	119.4293	0.930	12	119.4701	0.799	14	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.5328	0.983	10	119.4293	0.930	12	119.4701	0.799	14	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	120.9640	0.000	1	120.9640	0.000	1	120.9640	0.000	1	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	121.4525	0.395	2	121.4525	0.156	2	121.1123	1.945	4	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	120.7720	2.284	2	120.7720	5.216	2	121.1123	1.945	4	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(F)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|F<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	118.9440	0.000	1	118.9440	0.000	1	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|Cl<1>,1|N<2>,2|C<3>}	119.1565	0.586	2	119.1565	0.344	2	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|F<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|F<1>}	119.5550	0.000	1	119.5550	0.000	1	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.2695	1.446	2	119.2695	2.091	2	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	119.4615	1.524	2	119.8062	1.632	10	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.3475	0.022	2	119.8062	1.632	10	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	119.6740	1.539	2	119.8062	1.632	10	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.2740	1.676	4	119.8062	1.632	10	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.7817	0.804	6	119.7817	0.646	6	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.5035	0.402	2	119.5035	0.162	2	119.6296	0.965	24	119.7469	1.654	48	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	115.7057	0.449	3	115.7057	0.202	3	116.0750	0.680	4	118.0808	10.464	6	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	117.1830	0.000	1	117.1830	0.000	1	116.0750	0.680	4	118.0808	10.464	6	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	122.0925	1.414	2	122.0925	1.998	2	122.0925	1.998	2	118.0808	10.464	6	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(Cl){2|H<1>,3|C<3>}	120.1740	0.000	1	120.1740	0.000	1	120.1740	0.000	1	119.6178	2.821	5	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6a]C[6a]2){1|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	118.0265	0.641	2	118.0265	0.411	2	118.0265	0.411	2	119.6178	2.821	5	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2{5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{2|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	120.9310	1.431	2	120.9310	2.048	2	120.9310	2.048	2	119.6178	2.821	5	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.2120	0.000	1	119.2120	0.000	1	120.3756	1.323	9	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|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>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.3840	0.000	1	118.3840	0.000	1	120.3756	1.323	9	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.3140	0.000	1	120.8107	1.746	3	120.3756	1.323	9	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.5590	0.363	2	120.8107	1.746	3	120.3756	1.323	9	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|H<1>,1|O<1>,5|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[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.3440	0.000	1	120.8147	0.171	3	120.3756	1.323	9	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|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[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.1200	0.000	1	120.8147	0.171	3	120.3756	1.323	9	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.9800	0.000	1	120.8147	0.171	3	120.3756	1.323	9	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|Si<4>,1|H<1>,1|O<1>,5|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>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.9080	0.000	1	120.9080	0.000	1	120.3756	1.323	9	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.2320	0.000	1	119.9530	0.383	9	119.9607	0.341	10	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.9181	0.652	8	119.9530	0.383	9	119.9607	0.341	10	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.0300	0.000	1	120.0300	0.000	1	119.9607	0.341	10	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]2)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]2){2|N<3>,3|C<3>,4|H<1>}	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,2|B<3>,2|C<3>}	118.7313	0.983	6	118.7313	0.966	6	119.9889	0.881	42	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|B<3>}	120.2120	0.605	2	120.2763	0.141	4	119.9889	0.881	42	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,2|B<3>,2|H<1>}	120.3405	0.200	2	120.2763	0.141	4	119.9889	0.881	42	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){2|H<1>,2|N<3>,3|C<3>}	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|B<3>}	120.4240	1.444	4	120.2349	0.802	20	119.9889	0.881	42	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){2|H<1>,2|N<3>,3|C<3>}	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,2|B<3>,2|H<1>}	120.1876	0.766	16	120.2349	0.802	20	119.9889	0.881	42	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|B<3>}	119.8377	0.792	6	119.8377	0.628	6	119.9889	0.881	42	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){1|C<3>,2|N<3>,4|H<1>}	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,2|B<3>,2|H<1>}	120.3865	0.272	6	120.3865	0.074	6	119.9889	0.881	42	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|S<2>,2|H<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>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	118.1915	0.633	2	118.1915	0.401	2	118.1915	0.401	2	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,3|C<3>}	120.0325	0.401	2	120.0325	0.161	2	120.1990	0.555	7	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	120.8720	0.000	1	120.8720	0.000	1	120.1990	0.555	7	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|Br<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){2|Br<1>,3|C<3>}	119.5680	0.594	2	119.5680	0.353	2	120.1990	0.555	7	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|Br<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(Br){2|Br<1>,3|C<3>}	120.6600	1.042	2	120.6600	1.086	2	120.1990	0.555	7	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	120.5037	0.822	3	120.5037	0.676	3	120.5040	0.451	4	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	120.5050	0.000	1	120.5050	0.000	1	120.5040	0.451	4	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[6a]C[6a]2){2|F<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	120.8195	0.275	2	120.8195	0.076	2	120.9292	0.182	4	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[6a]C[6a]2){2|F<1>,2|H<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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	121.0390	0.649	2	121.0390	0.421	2	120.9292	0.182	4	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|S<2>,2|H<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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.2565	0.788	2	119.2565	0.622	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,2|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	118.0023	0.390	3	118.0023	0.152	3	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	120.2330	0.000	1	120.2330	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	117.5375	0.094	2	117.5375	0.009	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	118.8630	0.000	1	118.8630	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.6502	0.532	4	118.6502	0.283	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	112.9510	0.000	1	112.9510	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.3815	1.535	2	118.5000	1.220	3	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	118.7370	0.000	1	118.5000	1.220	3	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|O<1>,2|H<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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	120.2630	0.000	1	115.4787	2.481	13	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	115.0800	0.672	12	115.4787	2.481	13	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	119.5580	0.000	1	119.5580	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.1393	0.319	3	120.1393	0.102	3	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.9440	0.000	1	119.9440	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	119.0683	0.618	4	119.0683	0.383	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9935	0.349	2	119.9935	0.122	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.6750	1.633	2	119.6750	2.668	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.8440	0.505	4	119.8440	0.255	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9470	0.000	1	119.9470	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6a]C[6a]2){1|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	122.4550	0.779	2	122.4550	0.607	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5520	1.404	2	119.5520	1.972	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.5160	0.651	2	119.5160	0.423	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	120.4790	1.468	2	120.4790	2.155	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1095	0.432	2	119.1095	0.187	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4120	0.946	2	119.4120	0.895	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.0625	1.355	4	119.0625	1.835	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7965	0.902	2	119.4963	0.392	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1960	0.058	2	119.4963	0.392	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.2750	0.000	1	119.2750	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.8430	0.000	1	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.5840	0.293	2	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7130	0.619	2	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.6520	1.127	2	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.6490	1.129	2	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6450	0.360	4	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.5860	0.946	2	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5595	0.525	2	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.5215	0.159	2	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.7212	0.490	4	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6598	0.871	12	119.6787	0.446	35	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.3960	0.000	1	119.3960	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5290	0.000	1	119.6805	0.531	21	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2605	0.670	2	119.6805	0.531	21	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.8321	0.963	8	119.6805	0.531	21	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5632	0.494	4	119.6805	0.531	21	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6660	0.549	4	119.6805	0.531	21	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3335	0.704	2	119.6805	0.531	21	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9638	0.499	4	119.9638	0.249	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.4820	1.437	2	119.4952	0.576	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5018	0.521	4	119.4952	0.576	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8032	0.481	4	119.7466	0.290	16	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8402	0.823	4	119.7466	0.290	16	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5280	0.822	2	119.7466	0.290	16	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9365	0.374	2	119.7466	0.290	16	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.7150	0.605	2	119.7466	0.290	16	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5065	0.333	2	119.7466	0.290	16	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1955	1.643	2	119.1955	2.698	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4755	0.637	2	119.4755	0.406	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.4755	1.189	2	119.4755	1.413	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6515	2.942	2	119.6515	8.657	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.1410	0.648	2	120.0857	0.177	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.0580	0.389	4	120.0857	0.177	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6385	1.050	2	119.6385	1.103	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2430	0.232	2	119.2430	0.054	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.9290	0.173	2	119.7348	0.603	10	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.9890	0.291	2	119.7348	0.603	10	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.5790	1.831	2	119.7348	0.603	10	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5885	0.735	4	119.7348	0.603	10	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.0845	1.865	2	119.8050	1.696	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5255	1.139	2	119.8050	1.696	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.8303	0.311	8	119.8070	0.366	12	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.7610	0.024	2	119.8070	0.366	12	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.7600	1.827	2	119.8070	0.366	12	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5245	1.273	2	119.8928	0.442	8	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.0515	0.604	4	119.8928	0.442	8	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9435	0.029	2	119.8928	0.442	8	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5750	1.516	2	119.5750	2.298	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.5105	0.411	2	119.5105	0.169	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3120	0.000	1	119.6422	1.644	17	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.7525	2.495	2	119.6422	1.644	17	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.4160	0.587	2	119.6422	1.644	17	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.7853	1.563	8	119.6422	1.644	17	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.4530	0.824	2	119.6422	1.644	17	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0405	0.636	2	119.6422	1.644	17	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	118.1730	0.000	1	118.1730	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	120.3799	1.268	8	120.3799	1.608	8	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]S)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){2|H<1>,2|S<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.2000	1.957	2	119.2000	3.831	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.9927	0.669	12	119.7423	0.518	18	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0895	0.670	4	119.7423	0.518	18	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.5460	0.057	2	119.7423	0.518	18	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	120.0430	0.000	1	120.0430	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.0710	0.849	2	119.5062	1.418	5	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6000	0.000	1	119.5062	1.418	5	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.8945	1.886	2	119.5062	1.418	5	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.0170	0.000	1	119.0170	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2690	0.000	1	119.6307	0.164	3	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.0690	0.000	1	119.6307	0.164	3	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5540	0.000	1	119.6307	0.164	3	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	119.4350	0.000	1	119.4350	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	117.3190	0.000	1	117.3190	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6085	0.247	2	119.6168	0.094	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5910	0.501	2	119.6168	0.094	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.6510	0.390	2	119.6168	0.094	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.8830	0.300	2	118.8830	0.090	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.7895	1.121	2	119.6703	0.501	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3010	0.303	2	119.6703	0.501	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9205	0.853	2	119.6703	0.501	6	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.6695	0.019	2	119.5523	0.797	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.4350	1.529	2	119.5523	0.797	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	118.2270	0.000	1	118.2270	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.9820	0.000	1	119.9923	1.057	3	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4975	0.803	2	119.9923	1.057	3	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2400	0.379	2	119.2400	0.144	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	119.3418	0.814	8	119.5272	0.433	47	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9102	0.649	10	119.5272	0.433	47	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.4266	0.829	8	119.5272	0.433	47	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.8483	0.375	4	119.5272	0.433	47	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3765	0.493	15	119.5272	0.433	47	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	119.2450	0.362	2	119.5272	0.433	47	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9220	0.345	2	119.9220	0.119	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4050	0.594	2	119.4050	0.353	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1870	0.220	4	119.1870	0.048	4	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9000	0.038	2	119.9000	0.001	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.7175	1.910	2	119.7175	3.648	2	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	121.6200	0.000	1	121.6200	0.000	1	119.4388	1.546	350	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	120.5345	0.375	4	120.5345	0.141	4	120.5345	0.141	4	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a](C[6a]N[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H){1|N<3>,2|C<3>,4|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	123.8230	0.000	1	123.8230	0.000	1	123.8230	0.000	1	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2)	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]N[6a])(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]N[6a])(H){1|H<1>,6|C<3>}	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	B[5a,6a]-3:B[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]B[5a,6a]B[6,6a])(C[6a]C[6a]H)2	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]B[5a,6a]B[6,6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|N<3>}	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,2|B<3>,2|H<1>}	120.5295	1.665	2	120.5295	2.773	2	120.5295	2.773	2	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	119.7460	0.884	4	119.7460	0.781	4	119.7460	0.781	4	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0080	0.690	2	119.0080	0.476	2	119.0080	0.476	2	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2133	0.209	4	119.2133	0.044	4	119.3073	1.079	12	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6485	0.448	2	119.6485	0.200	2	119.3073	1.079	12	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0615	1.549	4	119.0615	2.400	4	119.3073	1.079	12	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.6460	1.896	2	119.6460	3.597	2	119.3073	1.079	12	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2890	0.342	2	119.2890	0.117	2	119.2890	0.117	2	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	119.5210	1.280	2	119.5210	1.638	2	119.5210	1.638	2	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.2030	1.738	2	118.2030	3.021	2	118.2030	3.021	2	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7820	0.000	1	119.7820	0.000	1	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.0705	0.487	2	119.0705	0.237	2	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9660	0.596	4	119.7565	0.566	6	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.3375	1.112	2	119.7565	0.566	6	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.0478	0.251	4	120.0478	0.063	4	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.4210	1.602	2	119.2285	2.258	10	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.9710	1.433	2	119.2285	2.258	10	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.4175	2.044	4	119.2285	2.258	10	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9155	0.801	2	119.2285	2.258	10	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9428	0.964	6	119.6822	0.593	14	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6530	0.390	6	119.6822	0.593	14	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9880	0.960	2	119.6822	0.593	14	119.5808	0.952	37	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	120.8178	0.807	4	120.8178	0.651	4	120.8178	0.651	4	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	114.5900	0.000	1	114.5900	0.000	1	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|Ir<6>,1|N<4>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]Ir)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.2555	0.158	2	119.2555	0.025	2	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.0907	0.617	4	120.0907	0.380	4	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8115	0.206	4	119.8115	0.042	4	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8940	0.348	4	119.7267	0.242	14	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.7585	0.631	6	119.7267	0.242	14	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5118	0.402	4	119.7267	0.242	14	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.5135	0.095	2	119.6355	0.030	4	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.7575	0.151	2	119.6355	0.030	4	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<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|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6555	0.468	4	119.4622	0.241	12	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7480	0.287	2	119.4622	0.241	12	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1030	0.355	2	119.4622	0.241	12	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5825	0.894	2	119.4622	0.241	12	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0290	0.120	2	119.4622	0.241	12	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{3|H<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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.4545	0.129	2	119.4545	0.017	2	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5907	0.913	4	119.6720	0.322	10	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5840	0.197	2	119.6720	0.322	10	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5715	0.138	2	119.6720	0.322	10	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.0230	0.178	2	119.6720	0.322	10	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6395	0.008	2	119.6395	0.000	2	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5710	0.301	2	119.6863	0.781	4	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|Si<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8015	1.483	2	119.6863	0.781	4	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2870	0.095	2	119.2870	0.009	2	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.6617	1.093	4	119.6617	1.195	4	119.5669	0.676	65	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5685	0.776	2	119.5685	0.602	2	119.5685	0.602	2	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.7050	1.048	2	119.7050	1.098	2	119.7050	1.098	2	119.5771	1.364	570	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|O<1>,2|H<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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	119.4650	0.000	1	119.4650	0.000	1	119.8045	0.231	2	119.7823	0.748	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	120.1440	0.000	1	120.1440	0.000	1	119.8045	0.231	2	119.7823	0.748	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.5165	0.589	2	119.5165	0.347	2	119.7773	0.906	9	119.7823	0.748	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	119.6790	2.083	2	119.6790	4.339	2	119.7773	0.906	9	119.7823	0.748	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.6987	0.662	4	119.6987	0.438	4	119.7773	0.906	9	119.7823	0.748	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	120.8100	0.000	1	120.8100	0.000	1	119.7773	0.906	9	119.7823	0.748	11	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<2>,1|C<4>,1|O<1>,2|H<1>,7|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	117.2510	0.000	1	117.2510	0.000	1	117.2510	0.000	1	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){5|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,3|H<1>,5|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>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(COO){4|C<3>}	121.8200	1.039	2	121.8200	1.080	2	121.8200	1.080	2	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]2)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]2){2|N<3>,3|C<3>,4|H<1>}	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|B<3>,3|C<3>,4|H<1>}	120.9888	1.037	6	120.9888	1.074	6	120.9888	1.074	6	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	120.4775	0.084	2	120.4787	0.004	3	120.3405	1.082	6	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|O<2>,3|C<3>}	120.4810	0.000	1	120.4787	0.004	3	120.3405	1.082	6	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	118.3440	0.000	1	118.3440	0.000	1	120.3405	1.082	6	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	120.9000	0.000	1	121.1315	0.107	2	120.3405	1.082	6	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	121.3630	0.000	1	121.1315	0.107	2	120.3405	1.082	6	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	117.3215	0.443	2	117.3215	0.197	2	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	120.2460	0.000	1	120.2460	0.000	1	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	115.4050	0.520	2	115.4050	0.271	2	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	117.8910	0.000	1	117.0348	0.418	4	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.5800	0.324	2	117.0348	0.418	4	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.0880	0.000	1	117.0348	0.418	4	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.7420	0.000	1	116.7420	0.000	1	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	115.3720	0.000	1	115.3720	0.000	1	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.1130	0.219	2	116.1130	0.048	2	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.3180	0.221	2	116.3180	0.049	2	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	118.5170	0.000	1	118.5170	0.000	1	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	118.5480	0.000	1	118.5480	0.000	1	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,2|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	120.6757	0.534	3	120.6757	0.285	3	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	119.7440	0.000	1	119.7440	0.000	1	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	118.5320	0.725	2	118.5320	0.526	2	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	119.3855	0.043	2	119.3855	0.002	2	117.8194	3.168	25	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	118.3300	0.000	1	118.3300	0.000	1	118.1843	2.942	3	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	116.4010	0.000	1	116.4010	0.000	1	118.1843	2.942	3	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	119.8220	0.000	1	119.8220	0.000	1	118.1843	2.942	3	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	114.8950	1.648	2	114.8950	2.714	2	114.8950	2.714	2	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.0845	0.267	2	116.0845	0.071	2	116.0845	0.071	2	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(C[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	119.1645	0.086	2	119.1645	0.007	2	119.1645	0.007	2	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.4030	0.000	2	118.4030	0.000	2	118.4030	0.000	2	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	116.2145	1.452	2	116.2145	2.107	2	116.2145	2.107	2	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.5410	0.000	1	116.5410	0.000	1	116.1420	3.243	3	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{2|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	117.7100	0.000	1	117.7100	0.000	1	116.1420	3.243	3	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|Si<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	114.1750	0.000	1	114.1750	0.000	1	116.1420	3.243	3	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.5480	0.236	2	116.5480	0.056	2	116.5480	0.056	2	118.2825	4.634	59	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){2|Br<1>,3|C<3>}	119.8400	1.433	2	119.8400	2.052	2	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	118.7115	0.621	4	118.7115	0.386	4	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	124.0370	0.000	1	124.0370	0.000	1	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	123.1411	0.516	10	123.1411	0.266	10	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCO){2|H<1>,3|C<3>}	121.9210	0.000	1	121.9210	0.000	1	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]2O){2|H<1>,3|C<3>}	123.0520	0.000	1	123.0520	0.000	1	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.4058	0.399	4	118.4058	0.160	4	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2473	0.452	12	118.2473	0.204	12	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHN){1|C<4>,1|H<1>,3|C<3>}	119.4885	1.949	2	119.4885	3.801	2	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9543	0.771	14	117.9543	0.594	14	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5530	0.558	8	118.5530	0.311	8	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8241	1.087	12	118.8241	1.182	12	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|Fe<8>,1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7998	1.286	4	118.7998	1.655	4	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|Ni<7>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.2182	2.636	4	119.2182	6.951	4	119.2944	3.896	79	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.9373	0.324	8	118.9373	0.105	8	118.8231	0.432	18	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.8830	1.414	2	118.8830	2.000	2	118.8231	0.432	18	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.5918	0.508	4	118.5918	0.258	4	118.8231	0.432	18	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.7960	1.081	4	118.7960	1.168	4	118.8231	0.432	18	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]C)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){1|B<3>,2|C<3>,2|C<4>}	119.0130	1.155	2	119.0130	1.335	2	119.0130	1.335	2	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[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]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC3)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	123.8770	0.000	1	123.8770	0.000	1	123.8770	0.000	1	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	120.0660	0.977	2	120.0660	0.955	2	119.6663	0.850	6	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.4940	1.400	2	119.4665	0.939	4	119.6663	0.850	6	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.4390	0.923	2	119.4665	0.939	4	119.6663	0.850	6	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]Ir)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	120.1180	0.789	2	119.7720	0.370	4	119.3863	0.790	16	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]Ir)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|H<1>,3|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	119.4260	0.085	2	119.7720	0.370	4	119.3863	0.790	16	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	120.0080	0.974	2	119.8915	0.488	4	119.3863	0.790	16	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	119.7750	0.677	2	119.8915	0.488	4	119.3863	0.790	16	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|Ni<7>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	119.4365	2.155	2	119.1128	1.856	4	119.3863	0.790	16	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|Ni<7>,1|N<3>,2|H<1>,3|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	118.7890	0.713	2	119.1128	1.856	4	119.3863	0.790	16	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<2>,2|C<3>,2|H<1>}	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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	118.7715	0.182	2	118.7690	0.091	4	119.3863	0.790	16	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,3|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	118.7665	0.490	2	118.7690	0.091	4	119.3863	0.790	16	119.2882	2.932	122	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.9860	0.346	2	119.9860	0.120	2	119.9860	0.120	2	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.2870	0.000	1	117.2870	0.000	1	117.2870	0.000	1	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|C<3>,3|H<1>}	122.4265	1.007	4	122.4265	1.015	4	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.4410	0.205	2	117.4410	0.042	2	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.7420	0.000	1	116.7420	0.000	1	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	115.4270	0.000	1	115.4270	0.000	1	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	118.0030	0.000	1	118.0030	0.000	1	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	118.2800	0.000	1	118.2800	0.000	1	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	119.4635	0.351	2	119.4635	0.124	2	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	118.1590	0.000	1	118.1590	0.000	1	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	120.5730	0.000	1	120.5730	0.000	1	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2(CC[6a]HH){2|I<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	117.6170	0.175	2	117.6170	0.031	2	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.0970	0.000	1	119.0970	0.000	1	119.1194	5.103	17	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]S){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	119.4195	0.327	2	119.4195	0.107	2	119.4195	0.107	2	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5a,6a]C)(C[6a]C[6a]2)	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:C[6a]-3:	Ge[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]Si)(N[6a]Ge[6a]Si)(C[6a]C[6a]2)	N[6a](Ge[6a]N[6,6a]Mo)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6a]Si)(N[6a]Ge[6a]Si)(C[6a]C[6a]2){1|Mo<9>,1|N<3>,2|H<1>,3|C<3>}	N[6a](Ge[6a]N[6,6a]Mo)(C[6a]C[6a]2)(SiC3){1|Si<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	115.0320	0.000	1	115.0320	0.000	1	115.0320	0.000	1	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)2{1|H<1>,1|P<3>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6a]N[6a]2){2|C<4>,2|H<1>,3|C<3>}	119.3263	1.016	6	119.3263	1.032	6	119.3263	1.032	6	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	119.1430	0.000	1	119.1430	0.000	1	119.0175	0.395	8	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	119.8480	0.000	1	119.8480	0.000	1	119.0175	0.395	8	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	119.6550	0.000	1	119.6550	0.000	1	119.0175	0.395	8	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	119.0375	0.786	2	119.0375	0.617	2	119.0175	0.395	8	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.4730	0.267	3	118.4730	0.071	3	119.0175	0.395	8	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	118.8935	3.377	39	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2{1|N<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	119.8345	2.010	2	119.8345	4.041	2	119.8345	4.041	2	119.8345	4.041	2	119.2155	2.818	958	120.0806	3.296	1961
643	217	643	0:SP2_SP2_SP3	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	119.3860	0.000	1	119.3860	0.000	1	119.3860	0.000	1	119.3860	0.000	1	119.3860	0.000	1	119.0225	2.598	4
643	217	643	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.9315	1.118	2	119.9315	1.250	2	119.9315	1.250	2	119.9315	1.250	2	118.9013	3.809	3	119.0225	2.598	4
643	217	643	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]S)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]S)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1	118.9013	3.809	3	119.0225	2.598	4
643	217	643	6:SP2_SP2_SP2	C[3x6a]	N[3x6a]	C[6a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[3x6a]-3:	C[3x6a]-3:O[6a]-2:C[6a]-3:	C[3x6a](C[6a,6a]C[6a]O[6a])2(N[3x6a]C[3x6a]2)	N[3x6a](C[3x6a]C[6a,6a]2)3	C[6a,6a](C[3x6a]C[6a,6a]N[3x6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a]O[6a])2(N[3x6a]C[3x6a]2){2|H<1>,5|C<3>}	N[3x6a](C[3x6a]C[6a,6a]2)3{3|O<2>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]N[3x6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.5652	0.213	5	119.5652	0.046	5	119.5652	0.046	5	119.5652	0.046	5	119.7348	0.189	9	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[3x6a]	N[3x6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[3x6a]-3:	B[6a,6a]-3:B[6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(N[3x6a]B[6a,6a]2)	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]N[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(N[3x6a]B[6a,6a]2){2|H<1>,7|C<3>}	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2){9|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]N[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|B<3>,4|C<3>}	119.9468	0.580	4	119.9468	0.336	4	119.9468	0.336	4	119.9468	0.336	4	119.7348	0.189	9	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[3x6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	B[6a]-3:B[6a]-3:C[3x6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]B[6a]2)	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]B[6a]2){2|H<1>,7|C<3>}	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){10|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|B<3>,4|C<3>}	120.5493	0.185	4	120.5493	0.034	4	120.5493	0.034	4	120.3409	0.651	15	120.3409	0.651	15	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[3x6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	C[3x6a]-3:B[6a]-3:B[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[3x6a](C[6a,6a]C[6a]2)2(N[6a,6a]B[6a]2)	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2	C[6a,6a](C[3x6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a]2)2(N[6a,6a]B[6a]2){2|C<4>,2|H<1>,5|C<3>}	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|B<3>,2|C<3>,2|H<1>}	120.3377	0.079	3	120.3377	0.006	3	120.3377	0.006	3	120.3409	0.651	15	120.3409	0.651	15	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[3x6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[3x6a](N[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[3x6a](N[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)2{2|H<1>,2|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Br<1>,5|C<3>}	120.2379	1.117	8	120.2379	1.249	8	120.2379	1.249	8	120.3409	0.651	15	120.3409	0.651	15	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6,6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[6,6,6a]C[6,6a]2)	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]N[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[6,6,6a]C[6,6a]2){2|H<1>,7|C<3>}	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]N[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.8585	0.846	2	119.8585	0.716	2	120.0555	0.297	4	120.0555	0.297	4	120.0555	0.297	4	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6,6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[6,6,6a]C[6,6a]2)	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]N[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[6,6,6a]C[6,6a]2){1|N<2>,2|H<1>,6|C<3>}	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]N[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H){1|H<1>,6|C<3>}	120.2525	0.144	2	120.2525	0.021	2	120.0555	0.297	4	120.0555	0.297	4	120.0555	0.297	4	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH)	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S)	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,2|N<3>,2|O<1>,2|S<1>,4|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>}	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S){2|C<3>,4|C<4>}	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a,6a](N[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6])	C[6,6a](C[6,6a,6a]N[6,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a,6a](N[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]N[6,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a](N[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6])	C[6a,6a](C[6,6a,6a]N[6,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6,6a,6a](N[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6a,6a](C[6,6a,6a]N[6,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[3x6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a,6a]-3:C[3x6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:O[6]-2:	C[6,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(N[6,6a]C[6a,6a]O[6])	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6])	C[3x6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(N[6,6a]C[6a,6a]O[6]){1|O<2>,7|C<3>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6]){1|H<1>,6|C<3>}	C[3x6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]2){1|N<3>,2|O<2>,6|C<3>}	119.6610	0.000	1	119.6610	0.000	1	119.6610	0.000	1	119.6610	0.000	1	119.6760	0.000	2	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[3x6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a]2)2	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){3|H<1>,6|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[3x6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a]2)2{3|H<1>,6|C<3>}	119.6910	0.000	1	119.6910	0.000	1	119.6910	0.000	1	119.6910	0.000	1	119.6760	0.000	2	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	121.2480	0.000	1	121.2480	0.000	1	120.2589	0.234	8	120.2589	0.234	8	120.2589	0.234	8	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,5|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>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	120.1587	0.300	6	120.1176	0.087	7	120.2589	0.234	8	120.2589	0.234	8	120.2589	0.234	8	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|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>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	119.8710	0.000	1	120.1176	0.087	7	120.2589	0.234	8	120.2589	0.234	8	120.2589	0.234	8	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a,6a]-3:C[3x6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:O[6]-2:	C[6,6a,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(N[6,6a]C[6a,6a]O[6])	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6])	C[6,6a,6a](C[6,6a,6a]C[3x6a]N[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a,6a]O[6])	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(N[6,6a]C[6a,6a]O[6]){1|O<2>,7|C<3>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6]){1|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[3x6a]N[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a,6a]O[6]){1|N<3>,1|O<2>,6|C<3>}	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	120.5760	0.844	7	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6])	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6])	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	120.2530	0.124	2	120.2530	0.015	2	120.8730	0.272	6	120.8730	0.272	6	120.5760	0.844	7	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6])	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6])	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,3|H<1>,4|C<3>}	121.1830	0.254	4	121.1830	0.064	4	120.8730	0.272	6	120.8730	0.272	6	120.5760	0.844	7	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	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>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	119.9010	0.848	21	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a,6a]C[3x6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){3|H<1>,6|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[6,6a](C[6,6a,6a]C[3x6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	118.7480	0.000	1	118.7480	0.000	1	118.7480	0.000	1	118.7480	0.000	1	119.9010	0.848	21	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,2|H<1>,3|C<3>,3|C<4>}	119.6524	0.741	12	119.6524	0.549	12	119.6524	0.549	12	119.6524	0.549	12	119.9010	0.848	21	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH)	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	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>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH){1|F<1>,1|H<1>,3|C<3>,4|C<4>}	120.1360	0.000	1	120.1360	0.000	1	120.4135	0.154	2	120.1193	0.232	6	119.9010	0.848	21	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	120.6910	0.000	1	120.6910	0.000	1	120.4135	0.154	2	120.1193	0.232	6	119.9010	0.848	21	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.5380	0.000	1	120.5380	0.000	1	119.9723	0.249	4	120.1193	0.232	6	119.9010	0.848	21	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	120.2410	0.000	1	120.2410	0.000	1	119.9723	0.249	4	120.1193	0.232	6	119.9010	0.848	21	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	119.5550	0.076	2	119.5550	0.006	2	119.9723	0.249	4	120.1193	0.232	6	119.9010	0.848	21	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:4:3:	C[6a,6a]-3:N[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O){1|N<2>,2|C<4>,6|C<3>}	122.6200	0.000	1	122.6200	0.000	1	122.6200	0.000	1	122.6200	0.000	1	119.9010	0.848	21	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	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>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|N<3>,1|O<2>,3|C<3>}	119.3050	0.000	1	119.3050	0.000	1	119.3050	0.000	1	119.3050	0.000	1	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,2|C<4>,5|C<3>}	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6a,6a](C[6,6a,6a]C[6,6,6a]N[6,6a])(C[6a]C[6a]H)2	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]N[6,6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6210	0.000	1	119.6210	0.000	1	119.8096	0.166	8	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6a,6a](C[6,6a,6a]C[6,6,6a]N[6,6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|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>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]N[6,6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.8840	0.000	1	119.8840	0.000	1	119.8096	0.166	8	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6a,6a](C[6,6a,6a]C[6,6,6a]N[6,6a])(C[6a]C[6a]H)2	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,5|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>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]N[6,6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8287	0.473	6	119.8287	0.223	6	119.8096	0.166	8	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6])	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|B<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	119.0220	0.041	2	119.0220	0.002	2	119.0220	0.002	2	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6])	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.5493	0.414	4	119.5493	0.172	4	119.5493	0.172	4	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	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>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,2|C<4>,3|C<3>}	118.6660	0.000	1	118.6660	0.000	1	119.4530	0.358	14	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	118.7800	0.000	1	118.7800	0.000	1	119.4530	0.358	14	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,1|O<2>,3|C<3>}	119.5747	0.556	12	119.5747	0.309	12	119.4530	0.358	14	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])2	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,2|H<1>,6|C<3>}	118.9400	0.000	1	118.9400	0.000	1	118.9400	0.000	1	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	120.0055	0.189	2	120.0055	0.036	2	120.0055	0.036	2	119.5162	0.304	32	119.4167	0.582	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6a]N[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.8715	0.129	4	119.8715	0.017	4	119.8715	0.017	4	119.8715	0.017	4	119.8715	0.017	4	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6,6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6a](C[6,6a]N[6,6,6a]C[6,6a])(C[6a]C[6a]2)(H)	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,7|C<3>}	C[6a](C[6,6a]N[6,6,6a]C[6,6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	119.3130	0.258	4	119.3130	0.066	4	119.3130	0.066	4	119.1778	0.100	6	119.1778	0.100	6	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:Ge[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6,6a](C[6,6a]C[6a]C[6])2(Ge[6,6]N[6]2)	C[6a](C[6,6a]N[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	N[6,6,6a](C[6,6a]C[6a]C[6])2(Ge[6,6]N[6]2){2|Si<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]N[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,2|C<3>,2|H<1>}	118.9075	0.289	2	118.9075	0.084	2	118.9075	0.084	2	119.1778	0.100	6	119.1778	0.100	6	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.2885	0.299	2	118.2885	0.089	2	118.2885	0.089	2	118.6287	0.392	3	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	N[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	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>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,3|C<3>}	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	118.6287	0.392	3	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	117.6873	0.523	6	117.6873	0.273	6	117.6873	0.273	6	117.6873	0.273	6	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:2:	3:4:2:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	117.2350	0.000	1	117.2350	0.000	1	117.2350	0.000	1	117.2350	0.000	1	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	116.7410	0.000	1	116.7410	0.000	1	116.7410	0.000	1	116.7410	0.000	1	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:2:	4:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O){1|O<2>,9|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.6465	1.092	2	118.6465	1.194	2	118.6465	1.194	2	118.6465	1.194	2	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(N[6]N[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|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>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(N[6]N[6]){2|H<1>,5|C<3>}	119.4700	0.000	2	119.4700	0.000	2	119.4700	0.000	2	118.3902	1.844	4	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){2|H<1>,4|C<3>}	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	118.3902	1.844	4	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	N[6,6a]-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:N[6]-2:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|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>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	116.6510	0.000	1	116.6510	0.000	1	116.6510	0.000	1	118.3902	1.844	4	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)(N[6,6a]C[6a]C[6]){2|H<1>,8|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>}	C[6,6a](C[6,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){3|H<1>,7|C<3>}	116.4510	0.000	1	116.4510	0.000	1	116.4510	0.000	1	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-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[5a,6a]C[6a])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,8|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6]){1|S<2>,7|C<3>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.7840	0.000	1	113.7840	0.000	1	114.6257	3.077	3	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-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,6a]C[6a])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6]){2|H<1>,8|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>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	116.6420	0.000	1	116.6420	0.000	1	114.6257	3.077	3	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-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,6a]C[6a])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,8|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,7|C<3>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.4510	0.000	1	113.4510	0.000	1	114.6257	3.077	3	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5a,6]C[6a])(C[6a]C[6a]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)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|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>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|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>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|C<3>}	119.3440	0.000	1	119.3440	0.000	1	119.5670	0.099	2	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|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>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.7900	0.000	1	119.7900	0.000	1	119.5670	0.099	2	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O){1|C<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	117.9080	0.000	1	117.9080	0.000	1	117.9080	0.000	1	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	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>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	117.0820	0.000	1	117.0820	0.000	1	117.0820	0.000	1	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-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:C[6]-3:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](N[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>,2|C<3>,2|H<1>,2|N<2>}	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>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	117.9817	0.053	3	117.9817	0.003	3	117.9817	0.003	3	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-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:N[6]-3:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<4>,3|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>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	117.4668	4.046	13	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	117.4470	0.000	1	117.4470	0.000	1	117.4470	0.000	1	117.4470	0.000	1	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	N[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:B[3x6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6])	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	120.8195	0.815	2	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B[3x6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6])	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	120.1810	0.000	1	120.1810	0.000	1	120.1810	0.000	1	120.8195	0.815	2	117.9695	2.610	33	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a,6a]	3:3:2:	3:3:3:	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[6a,6a]-3:C[6a]-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)	C[6a,6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	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>}	C[6a,6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.3193	0.015	3	118.3193	0.000	3	118.3193	0.000	3	118.3115	0.000	4	118.4488	1.959	12	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a,6a]	3:3:2:	3:3:3:	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[6a,6a]-3:C[6,6a]-3:C[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)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)	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>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.2880	0.000	1	118.2880	0.000	1	118.2880	0.000	1	118.3115	0.000	4	118.4488	1.959	12	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)(N[6,6a]C[6a]C[6]){2|H<1>,8|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>}	C[6a,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	116.3820	0.000	1	116.3820	0.000	1	116.3820	0.000	1	116.8270	0.185	3	118.4488	1.959	12	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6])	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a,6a](C[6,6a]N[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,7|C<3>}	C[6a,6a](C[6,6a]N[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	117.0495	0.271	2	117.0495	0.073	2	117.0495	0.073	2	116.8270	0.185	3	118.4488	1.959	12	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6,6a]-3:C[3x6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H)	C[6a,6a](C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H){2|F<1>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	119.5800	0.000	1	119.5800	0.000	1	119.5800	0.000	1	119.5316	1.838	5	118.4488	1.959	12	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C){2|C<4>,2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2){1|B<4>,1|C<4>,1|H<1>,7|C<3>}	117.5060	0.000	1	117.5060	0.000	1	119.5195	2.449	4	119.5316	1.838	5	118.4488	1.959	12	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2){1|B<4>,2|H<1>,7|C<3>}	121.3270	0.000	1	121.3270	0.000	1	119.5195	2.449	4	119.5316	1.838	5	118.4488	1.959	12	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2){1|B<4>,2|H<1>,7|C<3>}	119.6225	0.073	2	119.6225	0.005	2	119.5195	2.449	4	119.5316	1.838	5	118.4488	1.959	12	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:2:	3:3:2:	3:3:1:	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[6a]-3:H-1:	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])	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H)	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>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	115.6310	0.000	1	115.6310	0.000	1	115.6310	0.000	1	115.6310	0.000	1	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	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:C[6a]-3:H-1:	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)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H)	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>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.8030	0.000	2	118.8030	0.000	2	118.8030	0.000	2	117.7084	0.620	7	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	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[6a]-3:H-1:	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)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(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>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	117.7084	0.620	7	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	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[6a]-3:H-1:	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)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]C)(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>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	117.5660	0.000	1	117.5660	0.000	1	117.5660	0.000	1	117.7084	0.620	7	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	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[6a]-3:H-1:	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)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H)	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>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	117.3575	0.015	2	117.3575	0.000	2	117.3420	0.001	3	117.7084	0.620	7	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	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[6a]-3:H-1:	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)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H)	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>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	117.3110	0.000	1	117.3110	0.000	1	117.3420	0.001	3	117.7084	0.620	7	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5a,6]C[6a])(C[6a]C[6a]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)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|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>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	117.3540	0.000	1	117.3540	0.000	1	117.3540	0.000	1	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[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](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|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>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.0960	0.000	1	118.0960	0.000	1	118.0960	0.000	1	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.1520	0.000	1	119.1520	0.000	1	119.1520	0.000	1	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.6030	2.543	2	118.6030	6.466	2	118.5447	3.243	3	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.4280	0.000	1	118.4280	0.000	1	118.5447	3.243	3	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){2|H<1>,3|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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.5410	0.000	1	118.5410	0.000	1	118.7590	0.095	2	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.9770	0.000	1	118.9770	0.000	1	118.7590	0.095	2	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1190	0.000	1	119.0637	0.174	4	119.0637	0.174	4	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0453	0.509	3	119.0637	0.174	4	119.0637	0.174	4	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	117.2460	0.000	1	117.2460	0.000	1	118.5236	0.792	8	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.8875	0.269	2	118.7790	0.072	3	118.5236	0.792	8	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.5620	0.000	1	118.7790	0.072	3	118.5236	0.792	8	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	118.6990	0.000	1	118.6990	0.000	1	118.5236	0.792	8	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	117.5530	0.000	1	117.5530	0.000	1	118.5236	0.792	8	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.2420	0.000	1	118.2420	0.000	1	118.5236	0.792	8	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.1120	0.000	1	120.1120	0.000	1	118.5236	0.792	8	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	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>}	119.9380	0.000	1	119.9380	0.000	1	119.9380	0.000	1	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:O-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O){2|H<1>,5|C<3>}	120.7160	0.000	1	120.7160	0.000	1	120.7160	0.000	1	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(H){2|H<1>,5|C<3>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	118.0080	0.000	1	117.7595	0.124	2	117.6418	0.191	10	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	117.5110	0.000	1	117.7595	0.124	2	117.6418	0.191	10	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Mo)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Mo<9>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	117.8940	0.000	1	117.8940	0.000	1	117.6418	0.191	10	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){2|C<3>,2|H<1>,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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	117.4085	0.612	2	117.4085	0.374	2	117.6418	0.191	10	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	117.9370	0.686	2	117.9370	0.470	2	117.6418	0.191	10	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Te)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Te<2>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	117.6145	0.262	2	117.6145	0.069	2	117.6418	0.191	10	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]W)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|N<3>,1|W<9>,2|C<3>,2|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	117.0850	0.000	1	117.0850	0.000	1	117.6418	0.191	10	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	117.5300	0.000	1	117.5300	0.000	1	117.8745	0.183	4	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	118.1385	0.508	2	117.9893	0.196	3	117.8745	0.183	4	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<4>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	117.6910	0.000	1	117.9893	0.196	3	117.8745	0.183	4	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]C)(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,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>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	118.4228	0.953	39	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	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>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,8|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6]){1|S<2>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	119.0210	0.000	1	119.0210	0.000	1	119.0210	0.000	1	118.6160	0.939	3	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6]){2|H<1>,8|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>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	117.5100	0.000	1	117.5100	0.000	1	118.4135	1.633	2	118.6160	0.939	3	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,8|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.3170	0.000	1	119.3170	0.000	1	118.4135	1.633	2	118.6160	0.939	3	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Ge[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](N[6,6a]Ge[6a]C[6])(C[6a]C[6a]Si)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6a]N[6a]Mo)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]N[6a])(SiC3)	C[6,6a](N[6,6a]Ge[6a]C[6])(C[6a]C[6a]Si)(C[6]C[6]H){1|Mo<9>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6a]N[6a]Mo)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]N[6a])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	120.5360	0.000	1	120.5360	0.000	1	120.5360	0.000	1	120.5360	0.000	1	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<3>,2|C<4>,4|C<3>}	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	120.3717	0.383	4	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a]C[6a]C)(H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.8530	0.000	1	119.8530	0.000	1	119.8530	0.000	1	120.3717	0.383	4	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B[3x6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6])	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6,6a]H)(H)	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6,6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	120.3717	0.383	4	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	120.3717	0.383	4	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)(CC[6a]O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|O<1>,3|C<3>,4|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	120.8330	0.000	1	120.8330	0.000	1	120.0350	1.274	2	120.0350	1.274	2	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	119.2370	0.000	1	119.2370	0.000	1	120.0350	1.274	2	120.0350	1.274	2	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C-4:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a,6a]2)(CCHH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a,6a]2)(CCHH){3|C<4>,4|C<3>}	120.3770	0.000	1	120.3770	0.000	1	120.3770	0.000	1	120.3770	0.000	1	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H)	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	120.6695	0.100	2	120.6695	0.010	2	120.6695	0.010	2	120.6695	0.010	2	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:4:	3:3:4:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:3:4:	4:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH)	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(Br)	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|Br<1>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(Br){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.8470	0.000	1	119.8470	0.000	1	119.8470	0.000	1	119.8470	0.000	1	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:4:3:	4:3:3:	3:3:1:	N[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H)	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O)	C[6a](C[6,6a]N[6,6a]C[5,6])(C[6a]N[6a]N)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]N[6,6a]C[5,6])(C[6a]N[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	120.4343	0.320	6	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:4:3:	4:3:3:	3:3:1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	120.2127	0.647	3	120.2127	0.418	3	120.3712	0.370	5	120.4343	0.320	6	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:4:3:	4:3:3:	3:3:1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0860	0.000	1	121.0860	0.000	1	120.3712	0.370	5	120.4343	0.320	6	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	3:4:3:	4:3:3:	3:3:1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.1320	0.000	1	120.1320	0.000	1	120.3712	0.370	5	120.4343	0.320	6	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.4770	0.000	1	120.4770	0.000	1	119.5576	1.041	21	119.5576	1.041	21	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.2490	0.000	1	119.5116	1.049	20	119.5576	1.041	21	119.5576	1.041	21	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.4728	1.037	19	119.5116	1.049	20	119.5576	1.041	21	119.5576	1.041	21	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6a]	4:3:3:	4:3:3:	3:3:1:	C[5,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[5,6])(H)	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O){1|Si<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[5,6])(H){1|Si<4>,1|H<1>,3|C<3>,3|C<4>}	119.0820	0.000	1	119.0820	0.000	1	119.0820	0.000	1	119.0820	0.000	1	119.0088	1.612	92	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<4>,2|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	118.8420	2.455	2	118.8420	2.455	2	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	N[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	118.8420	2.455	2	118.8420	2.455	2	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:1:	3:2:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-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)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a])(N[6]C[5a,6]H)	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>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a])(N[6]C[5a,6]H){1|H<1>,2|C<3>,2|N<2>}	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:2:	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[6a]-3:S[6]-2:	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)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]C[6,6a])	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>}	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>}	116.4315	0.056	2	116.4315	0.003	2	117.0528	0.516	4	117.0528	0.516	4	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:2:	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[6a]-3:S[6]-2:	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)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]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>}	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>}	117.6740	0.000	2	117.6740	0.000	2	117.0528	0.516	4	117.0528	0.516	4	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[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)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(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>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	119.6630	0.000	1	119.6630	0.000	1	119.5960	0.009	2	120.6637	3.816	6	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[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)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O)	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>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>}	119.5290	0.000	1	119.5290	0.000	1	119.5960	0.009	2	120.6637	3.816	6	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[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)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Pd)	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>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Pd){1|C<4>,2|C<3>,2|H<1>}	118.6200	0.000	1	118.6200	0.000	1	119.3570	1.086	2	120.6637	3.816	6	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[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)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Re)	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>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Re){2|C<4>,3|C<3>}	120.0940	0.000	1	120.0940	0.000	1	119.3570	1.086	2	120.6637	3.816	6	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,2|H<1>,3|C<3>}	123.7510	0.000	1	123.7510	0.000	1	123.7510	0.000	1	120.6637	3.816	6	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[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]C[6])(O[6]B[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|F<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C){1|B<4>,1|C<3>,2|C<4>}	122.3250	0.000	1	122.3250	0.000	1	122.3250	0.000	1	120.6637	3.816	6	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-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]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH){2|C<4>,3|C<3>}	123.7010	0.000	1	123.7010	0.000	1	123.2965	0.327	2	123.2965	0.327	2	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-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]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,4|C<4>}	122.8920	0.000	1	122.8920	0.000	1	123.2965	0.327	2	123.2965	0.327	2	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:4:3:	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]-4:C[6a]-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)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	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>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	121.8160	0.000	1	121.8160	0.000	1	120.7850	0.845	3	121.7758	2.423	5	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:4:3:	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]-4:C[6a]-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)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	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>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	120.0500	0.000	1	120.2695	0.096	2	120.7850	0.845	3	121.7758	2.423	5	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:4:3:	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]-4:C[6a]-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)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	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>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	120.4890	0.000	1	120.2695	0.096	2	120.7850	0.845	3	121.7758	2.423	5	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	122.6970	0.000	1	123.2620	0.638	2	123.2620	0.638	2	121.7758	2.423	5	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	123.8270	0.000	1	123.2620	0.638	2	123.2620	0.638	2	121.7758	2.423	5	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[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)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	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>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	120.0570	0.000	1	120.0570	0.000	1	120.1027	0.009	3	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[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)	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	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>}	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|S<2>,3|C<3>,3|C<4>}	120.1255	0.125	2	120.1255	0.016	2	120.1027	0.009	3	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	122.8070	0.000	1	122.3504	0.129	5	122.3504	0.129	5	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,2|O<1>,4|C<4>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	122.1917	0.341	3	122.3504	0.129	5	122.3504	0.129	5	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,2|O<1>,4|C<4>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	122.3700	0.000	1	122.3504	0.129	5	122.3504	0.129	5	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	122.3880	0.000	1	123.2135	0.223	6	123.2135	0.223	6	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<2>,3|C<3>,4|C<4>}	123.2345	0.086	2	123.2135	0.223	6	123.2135	0.223	6	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	123.1130	0.000	1	123.2135	0.223	6	123.2135	0.223	6	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){4|C<3>,4|C<4>}	123.6555	0.159	2	123.2135	0.223	6	123.2135	0.223	6	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,5|C<3>}	123.4570	0.000	1	123.4570	0.000	1	123.3135	0.366	4	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	123.2657	0.732	3	123.2657	0.535	3	123.3135	0.366	4	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	123.7050	0.000	1	123.7050	0.000	1	123.7050	0.000	1	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	123.3425	2.220	2	123.3425	4.927	2	123.3425	4.927	2	122.6183	1.665	21	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	120.4075	0.588	4	120.4075	0.346	4	120.4075	0.346	4	120.4075	0.346	4	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H){2|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|O<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	122.6210	0.000	1	122.6210	0.000	1	122.6210	0.000	1	119.5580	4.686	4	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6,6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	119.0450	0.000	2	119.0450	0.000	2	119.0450	0.000	2	119.5580	4.686	4	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(N[6]C[6]Ru)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(N[6]C[6]Ru){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<5>,2|C<3>,3|H<1>}	117.5210	0.000	1	117.5210	0.000	1	117.5210	0.000	1	119.5580	4.686	4	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,3|H<1>,5|C<3>}	120.0738	0.218	4	120.0738	0.047	4	120.0738	0.047	4	120.2933	0.183	6	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC){2|H<1>,4|C<3>}	120.7325	0.443	2	120.7325	0.197	2	120.7325	0.197	2	120.2933	0.183	6	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,6|H<1>}	120.2315	0.504	2	120.2315	0.254	2	120.2315	0.254	2	120.2315	0.254	2	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H){1|N<3>,1|O<2>,2|O<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	120.4570	3.416	2	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H){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)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){3|H<1>,5|C<3>}	119.1500	0.000	1	119.1500	0.000	1	119.1500	0.000	1	120.4570	3.416	2	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-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]C)(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|S<1>,2|O<1>,3|N<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	118.8310	0.000	2	118.8310	0.000	2	118.8310	0.000	2	118.8310	0.000	2	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-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]C)(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH){1|C<3>,1|H<1>,3|C<4>}	120.8090	0.000	1	120.8090	0.000	1	120.8090	0.000	1	120.8090	0.000	1	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	121.8200	0.000	1	121.8200	0.000	1	121.8200	0.000	1	120.2240	1.914	3	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,2|H<1>,4|C<3>}	119.4820	0.000	1	119.4820	0.000	1	119.4820	0.000	1	120.2240	1.914	3	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:3:	3:3:4:	3:4:3:	N[5,6]-3:C[6,6a]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3){2|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O){3|C<3>,3|C<4>}	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	120.2240	1.914	3	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:4:	3:3:1:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	119.7710	0.000	1	119.7710	0.000	1	120.1100	0.230	2	120.1100	0.230	2	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:4:	3:3:1:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	120.4490	0.000	1	120.4490	0.000	1	120.1100	0.230	2	120.1100	0.230	2	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:4:	3:3:2:	3:3:3:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:4:	3:3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-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]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	120.0100	0.000	1	120.0100	0.000	1	119.9383	0.052	3	119.9383	0.052	3	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:4:	3:3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-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]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	120.1210	0.000	1	120.1210	0.000	1	119.9383	0.052	3	119.9383	0.052	3	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:4:	3:3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-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]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	119.6840	0.000	1	119.6840	0.000	1	119.9383	0.052	3	119.9383	0.052	3	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:4:	3:3:4:	3:4:2:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	118.9245	0.185	2	118.9245	0.034	2	118.9245	0.034	2	118.9245	0.034	2	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:3:	3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	119.4802	0.466	8	119.4802	0.217	8	119.4802	0.217	8	119.4802	0.217	8	120.7025	3.591	80	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2)	C[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,3|N<2>}	N[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6450	0.000	1	117.6450	0.000	1	117.6450	0.000	1	117.6450	0.000	1	117.6450	0.000	1	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a,6a]	C[6a,6a]	3:3:3:	4:3:3:	3:3:3:	N[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6,6a,6a]B[6,6a,6a]N[6,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]N[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6,6a,6a]B[6,6a,6a]N[6,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|H<1>,4|C<3>}	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]N[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	120.9010	0.024	2	120.9010	0.001	2	120.9010	0.001	2	120.9010	0.001	2	120.9010	0.001	2	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[3x6a]-3:C[6a]-3:	B[6,6,6a]-3:C[6a,6a]-3:B[6]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[6,6a]B[6,6,6a]B[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N)	C[3x6a](C[6a,6a]N[6,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](N[6,6a]B[6,6,6a]B[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|B<3>,2|N<3>,3|C<3>}	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	C[3x6a](C[6a,6a]N[6,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,3|B<3>,4|H<1>}	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:O[6]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	117.6946	1.221	11	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	117.6946	1.221	11	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	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)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|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>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	118.0087	0.340	4	117.6946	1.221	11	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6,6a]C[5,6,6a]C[6,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](N[6,6a]C[5,6,6a]C[6,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.3920	0.000	1	117.3920	0.000	1	117.3920	0.000	1	118.0087	0.340	4	117.6946	1.221	11	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	117.9220	0.004	2	117.9220	0.000	2	117.9220	0.000	2	118.0087	0.340	4	117.6946	1.221	11	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:2:3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	117.6946	1.221	11	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6,6a]B[6,6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6,6a]B[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,3|O<2>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	117.6946	1.221	11	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a]	C[6a,6a]	3:3:3:	4:3:3:	3:3:3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|B<4>,2|C<3>,2|H<1>}	116.9117	0.302	3	116.9117	0.091	3	116.9117	0.091	3	116.9117	0.091	3	117.6946	1.221	11	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|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>}	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.4020	0.000	1	118.4020	0.000	1	118.4020	0.000	1	118.4020	0.000	1	118.4020	0.000	1	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.5400	0.000	1	117.5400	0.000	1	117.5400	0.000	1	117.5123	1.223	15	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,7|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	116.5420	0.242	2	116.5420	0.058	2	116.5420	0.058	2	117.5123	1.223	15	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,2|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{5|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.6693	0.459	4	117.6693	0.211	4	117.6693	0.211	4	117.5123	1.223	15	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	116.8730	0.250	2	116.8780	0.138	5	116.9195	0.121	6	117.5123	1.223	15	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.8813	0.495	3	116.8780	0.138	5	116.9195	0.121	6	117.5123	1.223	15	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.1270	0.000	1	117.1270	0.000	1	116.9195	0.121	6	117.5123	1.223	15	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]Cl)2	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){2|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]Cl)2{1|Cl<1>,1|H<1>,3|C<3>}	119.9330	0.106	2	119.9330	0.011	2	119.9330	0.011	2	117.5123	1.223	15	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6a,6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	114.9110	0.000	1	114.9110	0.000	1	113.7800	0.717	4	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.3475	0.653	2	113.4030	0.222	3	113.7800	0.717	4	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.5140	0.000	1	113.4030	0.222	3	113.7800	0.717	4	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[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>}	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>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|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>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,3|C<3>,4|H<1>}	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,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>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	116.4540	0.000	1	116.4540	0.000	1	116.4540	0.000	1	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|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>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	119.8990	0.000	1	119.8990	0.000	1	119.8990	0.000	1	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	115.7150	0.000	1	115.7150	0.000	1	116.5002	1.677	4	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	115.1510	0.000	1	115.1510	0.000	1	116.5002	1.677	4	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,5|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>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	117.1700	0.000	1	117.1700	0.000	1	116.5002	1.677	4	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|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>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	117.9650	0.000	1	117.9650	0.000	1	116.5002	1.677	4	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,8|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2{10|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	118.2810	0.337	2	118.2810	0.113	2	118.2810	0.113	2	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]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)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	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>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,3|H<1>}	117.7960	0.000	1	117.7960	0.000	1	117.7960	0.000	1	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	119.3570	0.198	2	119.3570	0.039	2	119.3570	0.039	2	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2){4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,3|H<1>}	118.5290	0.071	2	118.5290	0.005	2	118.5290	0.005	2	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.7952	0.893	4	119.7952	0.798	4	119.4783	0.965	8	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.1612	1.089	4	119.1612	1.185	4	119.4783	0.965	8	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,7|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|H<1>,3|C<3>}	117.3775	0.465	2	117.3775	0.216	2	118.4512	0.823	6	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.1830	0.000	1	118.8417	0.093	3	118.4512	0.823	6	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.6710	0.103	2	118.8417	0.093	3	118.4512	0.823	6	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|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>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	119.4270	0.000	1	119.4270	0.000	1	118.4512	0.823	6	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.5550	0.150	2	116.8727	0.314	3	116.8727	0.314	3	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.5080	0.000	1	116.8727	0.314	3	116.8727	0.314	3	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	116.9830	0.000	1	116.9830	0.000	1	116.9830	0.000	1	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:B[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,3|H<1>}	119.6340	0.208	4	119.6340	0.043	4	119.6340	0.043	4	117.9976	3.683	42	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|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>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2){1|B<4>,1|C<4>,1|H<1>,7|C<3>}	117.5060	0.000	1	117.5060	0.000	1	119.6232	2.796	4	119.6232	2.796	4	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2){1|B<4>,2|H<1>,7|C<3>}	120.7660	0.000	1	120.7660	0.000	1	119.6232	2.796	4	119.6232	2.796	4	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	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>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2){1|B<4>,2|H<1>,7|C<3>}	120.1105	1.457	2	120.1105	2.124	2	119.6232	2.796	4	119.6232	2.796	4	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	4:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]B[6,6,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]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)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6,6,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|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>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	118.0057	3.152	62	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:2:3:	3:3:3:	3:3:1:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|C<4>,5|C<3>}	116.6885	0.114	2	116.6587	0.009	3	116.4280	0.219	4	116.4280	0.219	4	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:2:3:	3:3:3:	3:3:1:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]2)(H){6|C<3>}	116.5990	0.000	1	116.6587	0.009	3	116.4280	0.219	4	116.4280	0.219	4	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:2:3:	3:3:3:	3:3:1:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|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>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.7360	0.000	1	115.7360	0.000	1	116.4280	0.219	4	116.4280	0.219	4	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){2|Cl<1>,4|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl){4|C<3>}	117.3515	0.565	2	117.3515	0.319	2	117.3515	0.319	2	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6810	0.000	1	117.6810	0.000	1	117.5284	0.294	8	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4440	0.000	1	118.4440	0.000	1	117.5284	0.294	8	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1710	0.000	1	117.4658	0.151	5	117.5284	0.294	8	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7590	0.000	1	117.4658	0.151	5	117.5284	0.294	8	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.9310	0.000	1	117.4658	0.151	5	117.5284	0.294	8	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|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>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7340	0.000	2	117.4658	0.151	5	117.5284	0.294	8	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	116.7730	0.000	1	116.7730	0.000	1	117.5284	0.294	8	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(O)	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(O){1|H<1>,1|N<3>,4|C<3>}	117.9330	0.000	1	117.9330	0.000	1	117.9330	0.000	1	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	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:H-1:	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)	C[6a](C[6a,6a]N[6a,6a]O[6a])(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a,6a]N[6a,6a]O[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.1140	0.000	1	121.1140	0.000	1	121.1140	0.000	1	117.8314	1.305	12	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:2:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	115.2988	0.301	5	115.2988	0.091	5	115.2988	0.091	5	115.2988	0.091	5	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[5a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|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>}	C[6a](C[6a,6a]C[5a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|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>}	C[6a](C[6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	117.6880	0.000	1	117.6880	0.000	1	117.6880	0.000	1	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	117.0740	0.000	1	117.0740	0.000	1	118.0690	1.980	2	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	119.0640	0.000	1	119.0640	0.000	1	118.0690	1.980	2	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a]C[6a,6a]C)(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a]C[6a,6a]C)(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	116.4860	0.000	1	116.4860	0.000	1	116.4860	0.000	1	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)2{2|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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H){1|B<3>,1|H<1>,5|C<3>}	120.1820	0.000	1	120.1820	0.000	1	119.5330	0.842	2	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)2{2|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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	118.8840	0.000	1	118.8840	0.000	1	119.5330	0.842	2	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(H)	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(H){1|B<3>,2|H<1>,4|C<3>}	120.0290	0.139	2	120.0290	0.019	2	120.0290	0.019	2	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	118.6075	0.258	2	118.6075	0.067	2	118.6075	0.067	2	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,1|F<1>,1|H<1>,2|C<3>}	119.0400	0.330	2	119.2703	0.107	4	119.2703	0.107	4	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	119.5005	0.032	2	119.2703	0.107	4	119.2703	0.107	4	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	119.9635	0.073	2	119.9635	0.005	2	119.9635	0.005	2	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|C<2>,4|C<3>}	119.2510	0.000	1	119.2510	0.000	1	118.9323	0.162	3	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|Cl<1>,4|C<3>}	118.7730	0.414	2	118.7730	0.172	2	118.9323	0.162	3	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	115.4950	0.000	1	115.4950	0.000	1	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	117.7190	0.000	1	117.0277	0.342	4	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	117.2190	0.000	1	117.0277	0.342	4	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	116.5865	0.351	2	117.0277	0.342	4	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,2|H<1>,3|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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	116.0650	0.000	1	116.0650	0.000	1	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	116.8700	0.000	1	116.8700	0.000	1	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|I<1>,3|C<3>}	119.6670	0.000	1	119.6670	0.000	1	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	119.2480	0.000	1	119.2480	0.000	1	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,3|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.7920	0.000	1	117.7299	0.742	9	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,3|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	116.8780	0.000	1	117.7299	0.742	9	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,3|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.5053	0.351	3	117.7299	0.742	9	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,3|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	117.0230	0.422	3	117.7299	0.742	9	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	117.3140	0.000	1	117.7299	0.742	9	117.5014	1.327	18	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,2|H<1>,3|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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|H<1>,1|I<1>,3|C<3>}	119.8840	0.000	1	119.8840	0.000	1	119.8840	0.000	1	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,2|H<1>,2|O<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	118.2804	1.675	41	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]2)(CN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,5|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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]2)(CN){1|H<1>,6|C<3>}	117.0900	0.000	1	117.0900	0.000	1	117.0900	0.000	1	119.0097	2.681	4	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN){2|H<1>,5|C<3>}	121.0940	0.000	1	121.0940	0.000	1	121.0940	0.000	1	119.0097	2.681	4	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN){2|H<1>,5|C<3>}	118.9190	0.000	1	118.9190	0.000	1	118.9275	0.000	2	119.0097	2.681	4	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	118.9360	0.000	1	118.9360	0.000	1	118.9275	0.000	2	119.0097	2.681	4	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6a,6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	119.1080	0.000	1	119.1080	0.000	1	119.1080	0.000	1	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.3500	0.356	2	119.5363	0.168	3	119.5363	0.168	3	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.9090	0.000	1	119.5363	0.168	3	119.5363	0.168	3	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)(CC[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)(CC[6a]O){5|C<3>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a](C[6a]C[6a,6a]C)(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(CCH)	C[6a,6a](C[6a]C[6a,6a]C)(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(CCH){2|H<1>,5|C<3>}	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O){2|H<1>,5|C<3>}	119.0160	0.000	1	119.0160	0.000	1	119.0930	0.012	2	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<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>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(COO){2|H<1>,5|C<3>}	119.1700	0.000	1	119.1700	0.000	1	119.0930	0.012	2	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|H<1>,5|C<3>}	120.5030	0.000	1	120.5030	0.000	1	120.5030	0.000	1	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H)	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(COO)	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|S<2>,2|O<1>,3|C<3>}	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(COO){2|H<1>,5|C<3>}	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	119.6051	0.799	11	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	118.0940	0.000	1	118.0940	0.000	1	118.0940	0.000	1	118.0940	0.000	1	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	120.7450	0.000	1	120.7450	0.000	1	119.6767	0.871	3	119.6767	0.871	3	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)(H){1|B<4>,1|H<1>,3|C<3>}	119.1425	0.173	2	119.1425	0.030	2	119.6767	0.871	3	119.6767	0.871	3	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	119.3420	0.000	1	119.3420	0.000	1	119.3420	0.000	1	119.3420	0.000	1	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]B[6,6,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]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)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6,6,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|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>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	118.5940	0.000	1	118.5940	0.000	1	118.5940	0.000	1	118.5940	0.000	1	118.2221	2.305	83	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:1:	3:3:3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H){5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2){3|H<1>,5|C<3>}	117.7845	0.216	2	117.7845	0.047	2	117.7845	0.047	2	117.1410	1.266	3	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:1:	3:3:3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	C[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	117.1410	1.266	3	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:3:	3:3:3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2){2|H<1>,5|C<3>}	118.5545	0.449	2	118.5545	0.202	2	118.5545	0.202	2	118.5545	0.202	2	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])2(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|O<2>,6|C<3>}	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])2(C[6a,6a]C[6a]N[6a]){1|H<1>,1|O<2>,2|B<3>,5|C<3>}	120.5710	0.594	12	120.5710	0.353	12	120.6095	0.343	13	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])2(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){2|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])2(C[6a,6a]C[6a]N[6a]){1|H<1>,1|O<2>,2|B<3>,5|C<3>}	121.0710	0.000	1	121.0710	0.000	1	120.6095	0.343	13	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H){2|H<1>,2|N<3>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	118.0200	0.259	4	118.0200	0.067	4	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	117.7787	0.166	6	117.7787	0.028	6	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	117.8510	0.413	2	117.8510	0.171	2	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	117.7013	0.483	22	117.6888	0.186	35	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	117.6677	0.346	13	117.6888	0.186	35	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	118.0160	0.424	2	117.8885	0.131	6	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	117.8247	0.378	4	117.8885	0.131	6	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	117.8600	0.130	2	117.8600	0.017	2	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H){2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	117.8965	0.028	2	117.8965	0.001	2	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	117.8996	0.257	7	117.7716	0.078	11	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,2|C<3>,6|H<1>}	117.5478	0.153	4	117.7716	0.078	11	117.7632	0.133	68	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	115.7570	0.000	1	115.7400	0.001	2	115.7893	0.523	7	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	115.7230	0.000	1	115.7400	0.001	2	115.7893	0.523	7	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	115.4180	0.153	4	115.4180	0.024	4	115.7893	0.523	7	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	117.3730	0.000	1	117.3730	0.000	1	115.7893	0.523	7	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,5|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>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	118.0474	1.659	89	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:2:	3:3:3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){7|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	116.9780	0.000	1	116.9780	0.000	1	116.9780	0.000	1	116.9780	0.000	1	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)2	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)2{4|H<1>,5|C<3>}	116.9670	0.233	2	116.9670	0.054	2	116.9670	0.054	2	117.5016	0.914	8	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]Ir)(C[6a]C[6a]2)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Ir<6>,1|H<1>,1|N<4>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]Ir)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|Ir<6>,1|C<4>,4|C<3>,4|H<1>}	117.1200	0.000	1	117.1200	0.000	1	117.1200	0.000	1	117.5016	0.914	8	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]B[6a]C[6])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)(C[6]C[6]N[6])	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]B[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)(C[6]C[6]N[6]){2|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,3|C<3>,4|H<1>}	116.5440	0.061	2	116.5440	0.004	2	116.5440	0.004	2	117.5016	0.914	8	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(B[3x6a]C[3x6a]2)	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(B[3x6a]C[3x6a]2){2|H<1>,6|C<3>}	118.5510	0.000	1	118.5510	0.000	1	118.5510	0.000	1	117.5016	0.914	8	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[3x6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	118.6600	0.083	2	118.6600	0.007	2	118.6600	0.007	2	117.5016	0.914	8	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:4:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	116.9050	0.000	1	116.9050	0.000	1	117.9315	2.107	2	118.7186	1.165	7	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:4:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	118.9580	0.000	1	118.9580	0.000	1	117.9315	2.107	2	118.7186	1.165	7	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:4:	3:3:3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[3x6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[3x6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]N[6a])(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[3x6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]N[6a])(C[3x6a]C[6a,6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	118.7186	1.165	7	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:4:	3:3:3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[3x6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	119.9570	0.000	1	119.9570	0.000	1	119.9570	0.000	1	118.7186	1.165	7	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:4:	3:3:3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3)	C[3x6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3){2|H<1>,5|C<3>}	C[3x6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|N<4>,2|H<1>,4|C<3>}	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	118.7186	1.165	7	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:4:	3:3:3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[3x6a]C[3x6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[3x6a]C[3x6a]2){1|C<4>,2|H<1>,5|C<3>}	118.3940	0.000	1	118.3940	0.000	1	118.6980	0.185	2	118.7186	1.165	7	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:4:	3:3:3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[3x6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[3x6a]2){2|C<4>,2|H<1>,5|C<3>}	119.0020	0.000	1	119.0020	0.000	1	118.6980	0.185	2	118.7186	1.165	7	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:4:3:	3:3:3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	117.4540	0.000	1	117.4540	0.000	1	117.4540	0.000	1	117.4540	0.000	1	118.0200	1.564	111	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|N<2>}	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	119.6440	0.133	4	119.6440	0.018	4	119.6440	0.018	4	119.3983	0.158	6	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){2|H<1>,7|C<3>}	118.9070	0.106	2	118.9070	0.011	2	118.9070	0.011	2	119.3983	0.158	6	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C){1|H<1>,1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,5|C<3>}	118.7660	0.069	2	118.7660	0.005	2	118.8902	0.347	4	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6]){2|H<1>,3|C<4>,5|C<3>}	119.7120	0.000	1	119.7120	0.000	1	118.8902	0.347	4	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,5|C<3>}	118.3170	0.000	1	118.3170	0.000	1	118.8902	0.347	4	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<4>,6|C<3>}	119.5660	0.000	1	119.5660	0.000	1	119.5660	0.000	1	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){1|H<1>,2|C<4>,6|C<3>}	117.7250	0.266	2	117.7250	0.071	2	118.1424	0.179	12	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	118.4537	0.301	4	118.2972	0.128	9	118.1424	0.179	12	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	118.6380	0.000	1	118.2972	0.128	9	118.1424	0.179	12	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,5|C<3>}	118.0555	0.320	4	118.2972	0.128	9	118.1424	0.179	12	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	117.5840	0.000	1	117.5840	0.000	1	118.1424	0.179	12	118.3359	0.440	18	118.4921	0.855	25	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O){2|H<1>,5|C<3>}	120.4600	0.000	1	120.4600	0.000	1	120.4600	0.000	1	120.4600	0.000	1	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<3>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	119.6930	0.625	2	119.6810	0.196	3	119.6810	0.196	3	119.6810	0.196	3	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	119.6570	0.000	1	119.6810	0.196	3	119.6810	0.196	3	119.6810	0.196	3	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[5,6a]O)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,2|O<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[5,6a]O)(C[6a]N[6a]O){2|C<3>,3|C<4>}	119.4120	0.000	1	119.4120	0.000	1	118.9162	0.262	9	119.2864	0.578	13	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	119.0843	0.318	6	119.0843	0.101	6	118.9162	0.262	9	119.2864	0.578	13	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){2|C<4>,3|C<3>}	118.1640	0.205	2	118.1640	0.042	2	118.9162	0.262	9	119.2864	0.578	13	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){2|C<3>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O){2|C<4>,5|C<3>}	120.1192	0.528	4	120.1192	0.278	4	120.1192	0.278	4	119.2864	0.578	13	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	118.3625	0.122	2	118.3625	0.015	2	118.3625	0.015	2	119.6653	0.600	12	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	119.6653	0.600	12	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	120.0249	0.451	9	120.0249	0.203	9	120.0249	0.203	9	119.6653	0.600	12	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a,6a]N[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a,6a]N[6a]2){3|H<1>,6|C<3>}	121.8100	0.086	2	121.8100	0.007	2	121.8100	0.007	2	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S){1|H<1>,4|C<3>}	118.9800	0.000	1	118.9800	0.000	1	119.3925	0.340	2	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8050	0.000	1	119.8050	0.000	1	119.3925	0.340	2	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2){3|H<1>,6|C<3>}	121.6150	0.000	1	121.6150	0.000	1	121.6150	0.000	1	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	120.1890	0.000	1	120.1890	0.000	1	119.3012	0.406	12	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.4390	0.000	1	119.4390	0.000	1	119.3012	0.406	12	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|H<1>,2|C<3>}	118.7200	0.000	1	118.7200	0.000	1	119.3012	0.406	12	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	119.3120	0.552	5	119.3120	0.304	5	119.3012	0.406	12	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	120.2190	0.000	1	120.2190	0.000	1	119.3012	0.406	12	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	118.5460	0.334	2	118.8293	0.297	3	119.3012	0.406	12	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,2|C<3>,2|H<1>}	119.3960	0.000	1	118.8293	0.297	3	119.3012	0.406	12	119.7465	1.144	18	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:3:	3:2:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	115.7050	0.000	1	115.7050	0.000	1	115.7050	0.000	1	115.7050	0.000	1	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	118.4935	0.039	2	118.4935	0.002	2	118.4935	0.002	2	118.3877	0.034	3	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:2:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,4|C<3>}	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	118.3877	0.034	3	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){5|C<3>}	117.1150	0.574	2	117.1150	0.330	2	118.2803	4.239	3	118.2803	4.239	3	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	120.6110	0.000	1	120.6110	0.000	1	118.2803	4.239	3	118.2803	4.239	3	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	116.5090	0.420	8	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	116.7465	0.169	2	116.5115	0.206	6	116.3706	0.311	7	116.5090	0.420	8	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	116.3940	0.528	4	116.5115	0.206	6	116.3706	0.311	7	116.5090	0.420	8	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	115.5250	0.000	1	115.5250	0.000	1	116.3706	0.311	7	116.5090	0.420	8	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO){1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	119.3810	0.000	1	119.3810	0.000	1	120.7423	0.917	11	120.7423	0.917	11	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<4>,3|C<3>}	120.3648	0.824	4	120.8784	0.792	10	120.7423	0.917	11	120.7423	0.917	11	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	121.6390	0.545	4	120.8784	0.792	10	120.7423	0.917	11	120.7423	0.917	11	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.8020	0.000	1	120.8784	0.792	10	120.7423	0.917	11	120.7423	0.917	11	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,3|C<4>}	119.9670	0.000	1	120.8784	0.792	10	120.7423	0.917	11	120.7423	0.917	11	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH)	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]N[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH){1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]N[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,3|C<3>}	120.5470	0.000	1	120.5470	0.000	1	120.5470	0.000	1	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	120.4555	0.062	2	120.4555	0.004	2	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	119.4996	0.278	9	119.4701	0.066	11	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,3|C<3>}	119.3375	0.015	2	119.4701	0.066	11	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,3|C<3>}	119.4721	0.320	9	119.4721	0.102	9	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.0480	0.000	1	119.0480	0.000	1	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	120.3903	0.213	4	120.3903	0.046	4	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<2>,2|C<4>,4|C<3>}	119.2940	0.000	1	119.2940	0.000	1	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	119.5800	0.000	1	119.2860	0.173	2	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	118.9920	0.000	1	119.2860	0.173	2	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	120.1312	0.409	4	120.1818	0.138	5	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	120.3840	0.000	1	120.1818	0.138	5	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|N<2>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	119.2970	0.837	2	119.2970	0.701	2	119.6840	0.265	37	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	119.4675	0.275	2	119.4675	0.076	2	119.4675	0.076	2	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	119.7123	0.274	41	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	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>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	117.6435	0.852	2	117.6435	0.726	2	118.3100	1.696	3	118.3100	1.696	3	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	119.6430	0.000	1	119.6430	0.000	1	118.3100	1.696	3	118.3100	1.696	3	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:2:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|N<2>,3|H<1>}	118.8965	0.032	2	118.8965	0.001	2	118.8965	0.001	2	118.8965	0.001	2	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:2:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:As[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|As<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.4048	0.340	4	123.4048	0.115	4	123.4048	0.115	4	123.4048	0.115	4	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	116.6600	0.000	1	116.6600	0.000	1	117.9325	0.283	12	117.9325	0.283	12	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	117.9990	0.000	1	118.0482	0.134	11	117.9325	0.283	12	117.9325	0.283	12	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	117.9100	0.000	1	118.0482	0.134	11	117.9325	0.283	12	117.9325	0.283	12	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	118.0280	0.437	3	118.0482	0.134	11	117.9325	0.283	12	117.9325	0.283	12	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	118.3780	0.000	1	118.0482	0.134	11	117.9325	0.283	12	117.9325	0.283	12	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.0318	0.455	5	118.0482	0.134	11	117.9325	0.283	12	117.9325	0.283	12	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){4|C<3>,4|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H){1|N<3>,2|H<1>,4|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>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	118.6990	0.000	1	118.6990	0.000	1	119.2465	0.600	2	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	119.7940	0.000	1	119.7940	0.000	1	119.2465	0.600	2	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	119.2857	0.323	4	119.2857	0.104	4	119.2857	0.104	4	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|B<3>,3|H<1>,4|C<3>}	119.7500	0.000	1	119.7500	0.000	1	119.9940	0.093	6	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,4|H<1>}	119.9963	0.342	4	119.9963	0.117	4	119.9940	0.093	6	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,4|H<1>}	120.2290	0.000	1	120.2290	0.000	1	119.9940	0.093	6	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|B<3>,2|C<3>,3|H<1>}	118.1868	0.358	6	118.1868	0.128	6	118.3609	0.327	14	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H){2|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|B<3>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,2|B<3>,3|H<1>}	118.3130	0.000	1	118.3130	0.000	1	118.3609	0.327	14	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|B<3>,2|C<3>,3|H<1>}	119.1100	0.000	1	119.1100	0.000	1	118.3609	0.327	14	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,1|C<3>,4|H<1>}	118.9340	0.000	1	118.9340	0.000	1	118.3609	0.327	14	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|B<3>,1|C<3>,4|H<1>}	119.2210	0.000	1	119.2210	0.000	1	118.3609	0.327	14	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,3|H<1>}	117.5665	0.353	2	118.0883	0.499	4	118.3609	0.327	14	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,3|C<3>}	118.9860	0.000	1	118.0883	0.499	4	118.3609	0.327	14	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|B<3>,2|C<3>,2|H<1>}	118.2340	0.000	1	118.0883	0.499	4	118.3609	0.327	14	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O){1|N<3>,2|H<1>,3|C<3>}	121.1990	2.336	3	121.1990	5.455	3	121.1990	5.455	3	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	120.2070	0.402	2	120.1520	0.090	3	120.1768	0.043	6	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.0420	0.000	1	120.1520	0.090	3	120.1768	0.043	6	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<2>,1|S<1>,2|C<3>,2|H<1>}	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>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	120.0960	0.000	1	120.0960	0.000	1	120.1768	0.043	6	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	120.1650	0.000	1	120.2545	0.016	2	120.1768	0.043	6	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	120.3440	0.000	1	120.2545	0.016	2	120.1768	0.043	6	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	119.2590	0.000	1	119.2590	0.000	1	118.6262	0.202	4	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H)	C[6a,6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.4153	0.191	3	118.4153	0.037	3	118.6262	0.202	4	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<2>,2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.2690	0.382	2	121.2690	0.146	2	121.2690	0.146	2	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.6150	0.000	1	120.6150	0.000	1	119.6255	1.958	2	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.6360	0.000	1	118.6360	0.000	1	119.6255	1.958	2	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<2>,2|H<1>,3|C<3>}	119.3190	0.000	1	119.3190	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	118.2300	0.255	2	118.2300	0.065	2	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.2440	0.000	1	117.2440	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	118.9640	0.000	1	118.9640	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.4870	0.000	1	118.2805	0.085	2	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.0740	0.000	1	118.2805	0.085	2	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	118.4250	0.000	1	118.4250	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	118.2185	0.071	2	118.2185	0.005	2	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	119.1760	0.478	2	119.1760	0.228	2	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,3|H<1>}	119.3790	0.000	1	119.3090	0.104	10	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	119.1677	0.130	3	119.3090	0.104	10	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[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>,3|H<1>}	119.2925	0.353	2	119.3090	0.104	10	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,2|C<3>,3|H<1>}	119.0625	0.005	2	119.3090	0.104	10	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[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>}	119.4270	0.000	1	119.3090	0.104	10	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	120.0710	0.000	1	119.3090	0.104	10	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|Cl<1>,1|O<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]O){2|C<3>,4|H<1>}	119.8070	0.000	1	119.8070	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,3|H<1>}	119.3700	0.000	1	119.4462	0.115	5	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.2670	0.000	1	119.4462	0.115	5	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[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>,3|H<1>}	119.8570	0.000	1	119.4462	0.115	5	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|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[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>}	119.0200	0.000	1	119.4462	0.115	5	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	119.7170	0.000	1	119.4462	0.115	5	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	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>}	C[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>,3|H<1>}	119.0700	0.000	1	118.6197	0.160	3	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[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>}	118.3945	0.124	2	118.6197	0.160	3	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.0360	0.000	1	118.0360	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.4983	0.413	3	119.4983	0.171	3	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	118.7170	0.000	1	119.4507	0.568	12	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	118.7230	0.000	1	119.4507	0.568	12	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	119.2290	0.491	3	119.4507	0.568	12	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.0340	0.556	2	119.4507	0.568	12	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.0426	0.733	5	119.4507	0.568	12	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	120.1130	0.000	1	119.5186	0.168	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.6120	0.000	1	119.5186	0.168	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	119.3105	0.596	2	119.5186	0.168	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	119.4280	0.298	3	119.5186	0.168	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	120.0550	0.605	2	120.1057	0.191	3	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	120.2070	0.000	1	120.1057	0.191	3	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[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>,3|H<1>}	119.3930	0.000	1	119.4000	0.055	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.1210	0.000	1	119.4000	0.055	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[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>}	119.4245	0.266	4	119.4000	0.055	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	119.5880	0.000	1	119.4000	0.055	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.6060	0.000	1	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	118.6753	0.400	6	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|P<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	118.5260	0.000	1	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	120.0190	0.078	2	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.0520	0.000	1	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	118.6165	0.204	2	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	118.5330	0.000	1	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	120.9100	0.000	1	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.7127	0.181	7	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,3|H<1>}	119.1900	0.000	1	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	118.3770	0.000	1	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	119.0087	0.163	3	118.8345	0.434	27	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<3>,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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	119.1160	0.000	1	119.1160	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){3|C<3>,3|H<1>}	119.6360	0.000	1	119.6360	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,3|H<1>}	119.5210	0.000	1	118.6026	0.711	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	117.9017	0.192	3	118.6026	0.711	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	118.0760	0.000	1	118.6026	0.711	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	119.7170	0.000	1	118.6026	0.711	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,4|H<1>}	119.1990	0.000	1	118.6026	0.711	7	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|Br<1>,2|C<3>,2|H<1>}	118.2320	0.000	1	118.4355	0.083	2	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|Cl<1>,2|C<3>,2|H<1>}	118.6390	0.000	1	118.4355	0.083	2	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|Cl<1>,2|C<3>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	118.6030	0.000	1	118.6030	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2030	0.000	1	120.2030	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|O<2>}	119.4160	0.000	1	119.4160	0.000	1	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	120.3820	0.000	1	120.0120	0.274	2	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	119.6420	0.000	1	120.0120	0.274	2	119.0940	0.500	107	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.3880	0.168	2	118.3880	0.028	2	118.5238	0.110	13	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	119.4310	0.000	1	119.4310	0.000	1	118.5238	0.110	13	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.5350	0.000	1	118.4603	0.044	10	118.5238	0.110	13	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<4>,1|O<1>,2|C<3>,2|H<1>}	118.4960	0.000	1	118.4603	0.044	10	118.5238	0.110	13	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	118.4465	0.234	8	118.4603	0.044	10	118.5238	0.110	13	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H)	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	121.8735	0.150	6	121.8735	0.022	6	121.8735	0.022	6	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]H)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.7320	0.000	1	119.7320	0.000	1	119.7320	0.000	1	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6a,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|B<3>,2|C<3>,3|H<1>}	118.5355	0.540	2	118.5355	0.291	2	118.5355	0.291	2	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.1130	1.235	2	120.1130	1.524	2	120.1130	1.524	2	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.0683	0.466	4	119.0683	0.218	4	119.0683	0.218	4	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|As<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.5875	0.372	12	123.5875	0.138	12	123.5875	0.138	12	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]H){1|O<2>,2|H<1>,3|C<3>}	120.1160	0.000	1	120.1160	0.000	1	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H){1|H<1>,1|S<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6,6a]H){1|N<3>,2|H<1>,3|C<3>}	119.6490	0.000	1	119.6490	0.000	1	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.2720	0.000	1	119.2720	0.000	1	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.1450	0.058	2	119.1450	0.003	2	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	118.5810	0.376	2	118.6380	0.081	3	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	118.7520	0.000	1	118.6380	0.081	3	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	118.6480	0.000	1	119.1730	0.551	2	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.6980	0.000	1	119.1730	0.551	2	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.8130	0.000	1	120.7019	1.109	10	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.8045	0.179	2	120.7019	1.109	10	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	121.8440	2.011	2	120.7019	1.109	10	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.0690	0.742	4	120.7019	1.109	10	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.6330	0.000	1	120.7019	1.109	10	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	121.1620	0.000	1	121.1620	0.000	1	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	120.6720	0.000	1	120.6720	0.000	1	120.0200	1.261	22	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	118.7320	0.000	1	118.7320	0.000	1	118.5340	0.044	3	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	118.4350	0.170	2	118.4350	0.029	2	118.5340	0.044	3	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:S[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pd)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.9245	0.730	2	121.9245	0.534	2	121.9245	0.534	2	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]B[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]B[6a]H){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	118.0240	0.000	1	118.0240	0.000	1	118.0240	0.000	1	119.5467	1.991	221	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(N[6a]C[6a]){1|H<1>,2|N<2>,5|C<3>}	116.0430	0.011	2	116.0430	0.000	2	115.1396	1.286	7	115.1396	1.286	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	115.2195	0.928	2	115.5080	0.681	3	115.1396	1.286	7	115.1396	1.286	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	116.0850	0.000	1	115.5080	0.681	3	115.1396	1.286	7	115.1396	1.286	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	113.4920	0.000	1	113.6835	0.073	2	115.1396	1.286	7	115.1396	1.286	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,2|F<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	113.8750	0.000	1	113.6835	0.073	2	115.1396	1.286	7	115.1396	1.286	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:N-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]N){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	118.5236	0.688	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.8760	0.000	1	116.8760	0.000	1	118.5086	0.911	5	118.5236	0.688	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C){1|O<2>,3|H<1>,4|C<3>}	119.0915	0.397	2	119.0915	0.157	2	118.5086	0.911	5	118.5236	0.688	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	118.8670	0.000	1	118.7420	0.031	2	118.5086	0.911	5	118.5236	0.688	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	118.6170	0.000	1	118.7420	0.031	2	118.5086	0.911	5	118.5236	0.688	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	118.5236	0.688	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	118.4050	0.000	1	118.4050	0.000	1	118.1825	0.099	2	118.1825	0.099	2	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.9600	0.000	1	117.9600	0.000	1	118.1825	0.099	2	118.1825	0.099	2	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	117.2410	0.000	1	117.3405	0.020	2	117.3405	0.020	2	117.3965	1.927	4	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.4400	0.000	1	117.3405	0.020	2	117.3405	0.020	2	117.3965	1.927	4	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){3|H<1>,5|C<3>}	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	117.3965	1.927	4	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	115.7570	0.000	1	115.7570	0.000	1	115.7570	0.000	1	117.3965	1.927	4	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O){1|H<1>,1|N<3>,4|C<3>}	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.5550	0.000	1	117.5550	0.000	1	117.5550	0.000	1	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.2250	0.000	2	120.2250	0.000	2	120.7409	0.272	7	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	121.0480	0.000	1	121.1483	0.027	4	120.7409	0.272	7	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.1817	0.184	3	121.1483	0.027	4	120.7409	0.272	7	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.1430	0.000	1	120.1430	0.000	1	120.7409	0.272	7	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	120.4080	0.000	1	120.4080	0.000	1	120.4080	0.000	1	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C){3|H<1>,5|C<3>}	120.3830	0.000	1	120.3830	0.000	1	119.9085	0.064	11	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,5|C<3>}	119.8710	0.000	1	119.8953	0.038	7	119.9085	0.064	11	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.8993	0.212	6	119.8953	0.038	7	119.9085	0.064	11	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	119.4770	0.000	1	119.6935	0.094	2	119.9085	0.064	11	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.9100	0.000	1	119.6935	0.094	2	119.9085	0.064	11	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	119.9560	0.000	1	119.9560	0.000	1	119.9085	0.064	11	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,1|S<2>,4|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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	119.8510	0.000	1	119.8510	0.000	1	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|O<1>,2|H<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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	118.8240	0.000	1	118.8210	0.000	2	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|H<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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	118.8180	0.000	1	118.8210	0.000	2	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|H<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]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.2430	0.000	1	118.2430	0.000	1	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<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|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	118.7540	0.974	2	119.1735	0.464	6	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,2|H<1>,3|C<3>}	118.9810	0.000	1	119.1735	0.464	6	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	C[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>}	120.1440	0.000	1	119.1735	0.464	6	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,2|H<1>,3|C<3>}	119.0660	0.000	1	119.1735	0.464	6	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	119.3420	0.000	1	119.1735	0.464	6	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,1|O<2>,2|H<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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	119.1180	0.000	1	119.1180	0.000	1	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	118.8730	0.000	1	118.8730	0.000	1	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.2610	0.320	2	119.3770	0.091	3	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.6090	0.000	1	119.3770	0.091	3	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,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]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3590	0.000	1	119.3590	0.000	1	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7930	0.000	1	118.7930	0.000	1	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.4470	0.000	1	119.3200	0.036	3	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|Si<4>,3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,2|H<1>,3|C<3>}	119.4100	0.000	1	119.3200	0.036	3	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{2|N<2>,4|H<1>,5|C<3>}	C[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>}	119.1030	0.000	1	119.3200	0.036	3	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	118.0010	0.000	1	118.0010	0.000	1	119.0958	0.293	21	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C){3|H<1>,5|C<3>}	120.9600	0.000	1	120.9600	0.000	1	120.8295	0.034	2	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.6990	0.000	1	120.6990	0.000	1	120.8295	0.034	2	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]N){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|I<1>,1|N<3>,3|C<3>}	118.2020	0.000	1	118.2020	0.000	1	118.2020	0.000	1	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	119.9870	0.000	1	119.9870	0.000	1	120.0555	0.009	2	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	120.1240	0.000	1	120.1240	0.000	1	120.0555	0.009	2	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.9010	0.000	1	119.9010	0.000	1	119.9010	0.000	1	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	120.2332	0.335	6	120.2332	0.112	6	120.2332	0.112	6	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	120.8760	0.000	1	120.8760	0.000	1	120.8760	0.000	1	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H){1|B<3>,1|H<1>,4|C<3>}	121.3383	0.558	4	121.3383	0.312	4	121.2433	0.210	6	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	121.0535	0.069	2	121.0535	0.005	2	121.2433	0.210	6	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|N<3>,2|H<1>,5|C<3>}	119.9355	0.310	2	119.9355	0.096	2	119.9355	0.096	2	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](N[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.1700	0.000	1	119.1700	0.000	1	119.1700	0.000	1	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.0900	1.898	2	119.0900	3.602	2	119.2880	1.919	3	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|H<1>,4|C<3>}	119.6840	0.000	1	119.6840	0.000	1	119.2880	1.919	3	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](N[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	119.8701	0.966	69	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	118.2656	0.236	5	118.1697	0.100	6	118.2111	0.095	7	118.2111	0.095	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.6900	0.000	1	118.1697	0.100	6	118.2111	0.095	7	118.2111	0.095	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	118.4600	0.000	1	118.4600	0.000	1	118.2111	0.095	7	118.2111	0.095	7	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	117.8843	0.241	7	117.7139	0.158	17	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.2260	0.000	1	117.7139	0.158	17	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	117.5244	0.417	9	117.7139	0.158	17	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	117.4190	0.233	2	117.4190	0.054	2	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	118.0887	0.153	3	118.0887	0.024	3	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	118.0640	0.310	4	117.9336	0.217	12	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.0810	0.000	1	117.9336	0.217	12	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	117.8380	0.569	7	117.9336	0.217	12	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	117.8980	0.000	1	117.9055	0.135	11	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	118.2520	0.023	2	117.9055	0.135	11	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	118.2543	0.104	3	117.9055	0.135	11	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	117.5590	0.173	5	117.9055	0.135	11	117.8312	0.166	45	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7880	0.057	2	119.7880	0.003	2	119.7880	0.003	2	117.9144	0.319	47	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|O<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.7930	0.000	1	120.7930	0.000	1	120.8125	0.001	2	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[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|H<1>,1|N<3>,3|C<3>}	120.8320	0.000	1	120.8320	0.000	1	120.8125	0.001	2	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){2|C<4>,4|C<3>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4875	0.185	2	119.4875	0.034	2	119.4875	0.034	2	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH)	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|B<3>,1|C<4>,1|H<1>,4|C<3>}	120.0550	0.000	1	120.0550	0.000	1	120.0550	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,3|H<1>}	119.8180	0.000	1	119.8180	0.000	1	119.1587	0.282	4	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	119.3080	0.000	1	118.9390	0.133	3	119.1587	0.282	4	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|C<3>,2|H<1>}	118.7545	0.250	2	118.9390	0.133	3	119.1587	0.282	4	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|B<3>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,4|C<3>}	119.6487	0.346	3	119.6487	0.120	3	120.2255	0.253	12	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.4178	0.389	9	120.4178	0.152	9	120.2255	0.253	12	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3)	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.1950	0.000	1	120.1950	0.000	1	120.4341	0.744	9	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.2470	0.000	1	121.2470	0.000	1	120.4341	0.744	9	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.8930	0.000	1	119.8930	0.000	1	120.4341	0.744	9	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	121.4490	0.000	1	121.4730	0.001	2	120.4341	0.744	9	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.4970	0.000	1	121.4730	0.001	2	120.4341	0.744	9	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	119.3940	0.000	1	119.3940	0.000	1	120.4341	0.744	9	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	119.3560	0.000	1	119.3560	0.000	1	120.4341	0.744	9	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	120.9550	0.000	1	120.4380	0.535	2	120.4341	0.744	9	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.9210	0.000	1	120.4380	0.535	2	120.4341	0.744	9	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6a,6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	118.6800	0.000	1	118.6800	0.000	1	119.6093	0.101	16	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	119.7530	0.000	1	119.7530	0.000	1	119.6093	0.101	16	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	119.6322	0.206	12	119.6654	0.045	14	119.6093	0.101	16	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.7430	0.000	1	119.6654	0.045	14	119.6093	0.101	16	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.9860	0.000	1	119.6654	0.045	14	119.6093	0.101	16	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,2|C<3>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.6885	0.473	2	119.6885	0.224	2	119.6885	0.224	2	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	121.0210	0.187	2	121.0210	0.035	2	121.0210	0.035	2	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|O<1>,2|S<2>,5|C<3>}	121.1520	0.000	1	121.1520	0.000	1	121.1520	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.4340	0.372	2	120.4340	0.138	2	120.0792	0.359	5	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	119.5400	0.000	1	119.5400	0.000	1	120.0792	0.359	5	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.6030	0.000	1	120.6030	0.000	1	120.0792	0.359	5	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	119.3850	0.000	1	119.3850	0.000	1	120.0792	0.359	5	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	119.4880	0.000	1	119.4880	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,2|C<4>,3|C<3>}	117.1640	0.000	1	117.1640	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	119.5520	0.812	3	119.5520	0.660	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9210	0.000	1	119.9210	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7740	0.000	1	119.7740	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3070	0.000	1	120.3070	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5353	0.217	3	119.5353	0.047	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	119.2070	0.451	2	119.1106	0.946	41	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	118.9905	0.037	2	119.1106	0.946	41	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	118.9500	0.547	32	119.1106	0.946	41	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	124.3270	0.000	1	119.1106	0.946	41	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4490	0.000	1	119.1106	0.946	41	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	118.8910	0.000	1	119.1106	0.946	41	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.0370	0.296	2	119.1106	0.946	41	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	117.9110	0.000	1	117.9110	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.2860	0.110	2	119.2860	0.012	2	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	118.2960	0.000	1	118.2960	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	119.3790	0.000	1	119.3790	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.5100	0.190	3	119.6102	0.149	6	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.7103	0.554	3	119.6102	0.149	6	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	118.8530	0.000	1	119.5870	0.406	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.9980	0.000	1	119.5870	0.406	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C[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>,3|H<1>}	119.9100	0.000	1	119.5870	0.406	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	119.7000	0.000	1	119.7000	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	119.9680	0.000	1	119.9740	0.000	2	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.9800	0.000	1	119.9740	0.000	2	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.5513	0.200	6	119.4409	0.119	7	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,4|C<3>}	118.7780	0.000	1	119.4409	0.119	7	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	120.1515	0.033	2	120.1507	0.001	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)2{1|C<4>,1|N<2>,2|H<1>,6|C<3>}	120.1490	0.000	1	120.1507	0.001	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5290	0.000	1	119.4975	0.002	2	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.4660	0.000	1	119.4975	0.002	2	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.0150	0.000	1	120.0150	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	119.2650	0.000	1	119.2650	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	119.5650	0.424	3	119.9848	0.285	8	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.2060	0.000	1	119.9848	0.285	8	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.7190	0.000	1	119.9848	0.285	8	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	120.0860	0.494	3	119.9848	0.285	8	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	118.9350	0.000	1	119.2585	0.274	4	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	120.0380	0.000	1	119.2585	0.274	4	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	119.0305	0.071	2	119.2585	0.274	4	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)2{1|C<4>,2|H<1>,3|C<3>}	120.1860	0.000	1	120.1860	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	119.0870	0.188	2	119.3503	0.226	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.8770	0.000	1	119.3503	0.226	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	119.5330	0.000	1	119.8567	0.079	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.9980	0.000	1	119.8567	0.079	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	120.0390	0.000	1	119.8567	0.079	3	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|C<4>,2|C<3>,2|H<1>}	118.4450	0.000	1	118.4450	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|C<4>,2|C<3>,2|H<1>}	119.4760	0.000	1	119.4760	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){2|C<3>,4|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.5080	0.000	1	117.5080	0.000	1	119.3585	0.671	105	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5450	0.599	3	119.6150	0.190	5	119.6104	0.233	13	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.7660	0.000	1	119.6150	0.190	5	119.6104	0.233	13	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6740	0.000	1	119.6150	0.190	5	119.6104	0.233	13	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.1260	0.240	2	119.7140	0.271	6	119.6104	0.233	13	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.6390	0.000	1	119.7140	0.271	6	119.6104	0.233	13	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2445	0.021	2	119.7140	0.271	6	119.6104	0.233	13	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){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]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9040	0.000	1	119.7140	0.271	6	119.6104	0.233	13	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.8340	0.000	1	118.8340	0.000	1	119.6104	0.233	13	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7420	0.000	1	119.7420	0.000	1	119.6104	0.233	13	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	121.1010	0.000	1	121.1010	0.000	1	121.1010	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.3637	0.191	6	122.3637	0.037	6	122.3637	0.037	6	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.7420	0.000	1	119.7420	0.000	1	119.9820	0.063	3	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.2410	0.000	1	120.2410	0.000	1	119.9820	0.063	3	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.9630	0.000	1	119.9630	0.000	1	119.9820	0.063	3	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6,6a]C)(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	121.7550	0.143	2	121.1495	0.258	6	121.1495	0.258	6	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	120.8468	0.238	4	121.1495	0.258	6	121.1495	0.258	6	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|C<3>,7|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	120.1090	0.000	1	120.1090	0.000	1	120.1380	0.002	2	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3){3|C<4>,4|C<3>,7|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	120.1670	0.000	1	120.1670	0.000	1	120.1380	0.002	2	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.2900	1.150	3	119.2900	1.323	3	119.2900	1.323	3	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	120.7820	0.646	2	120.8231	0.084	7	120.8231	0.084	7	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	120.8396	0.145	5	120.8231	0.084	7	120.8231	0.084	7	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	119.6835	0.178	10	119.6835	0.032	10	119.6835	0.032	10	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a]){1|C<4>,2|H<1>,7|C<3>}	120.6550	0.819	2	120.6550	0.670	2	120.6550	0.670	2	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	120.0855	0.104	2	119.5762	0.247	11	119.5762	0.247	11	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	119.7855	0.185	2	119.5762	0.247	11	119.5762	0.247	11	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	119.3709	0.503	7	119.5762	0.247	11	119.5762	0.247	11	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.2210	0.319	4	121.2210	0.102	4	121.2210	0.102	4	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	121.6990	0.000	1	121.6990	0.000	1	121.6990	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[5,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[5,6a]H){1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[5,6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.1620	0.000	1	121.1620	0.000	1	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.3060	0.099	2	120.3060	0.010	2	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	121.6210	0.000	1	121.6210	0.000	1	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.6980	0.000	1	120.5933	0.080	31	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.9570	0.000	1	120.5933	0.080	31	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	120.9120	0.000	1	120.5933	0.080	31	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.5651	0.282	28	120.5933	0.080	31	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]N[6]){1|C<4>,2|H<1>,5|C<3>}	121.1180	0.000	1	121.1180	0.000	1	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.4250	0.095	2	120.5329	0.173	18	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	120.5925	0.016	2	120.5329	0.173	18	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.3970	0.286	14	120.5329	0.173	18	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.3350	0.000	1	121.3350	0.000	1	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.8630	0.033	2	118.8630	0.001	2	120.5536	0.244	57	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:S[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pd)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pd)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.2660	0.389	3	121.2660	0.151	3	120.5304	1.113	8	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:S[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pd)(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pd)(C[6a]C[6a]P){1|C<4>,2|H<1>,3|C<3>}	119.0770	0.000	1	119.0770	0.000	1	120.5304	1.113	8	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:S[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pt)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pt)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.0890	0.000	1	121.0890	0.000	1	120.5304	1.113	8	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:S[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pt)(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pt)(C[6a]C[6a]P){1|C<4>,2|H<1>,3|C<3>}	118.7120	0.000	1	118.7120	0.000	1	120.5304	1.113	8	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:S[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pd)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a]Pd)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.7835	0.084	2	120.7835	0.007	2	120.5304	1.113	8	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|F<1>,3|C<3>}	118.2630	0.000	1	118.2865	0.001	2	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|F<1>,3|C<3>}	118.3100	0.000	1	118.2865	0.001	2	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]F){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	119.1150	0.357	9	119.1150	0.127	9	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	119.3630	0.000	1	118.8933	0.188	41	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	118.9960	0.000	1	118.8933	0.188	41	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	118.8637	0.434	38	118.8933	0.188	41	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	119.4460	0.000	1	118.8933	0.188	41	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,1|N<3>,3|C<3>}	117.8740	0.000	1	117.8740	0.000	1	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,1|O<2>,3|C<3>}	118.3870	0.000	1	118.2676	0.237	11	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,1|O<2>,3|C<3>}	118.2557	0.511	10	118.2676	0.237	11	118.7821	0.264	64	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	118.8033	0.136	3	118.8033	0.019	3	118.8033	0.019	3	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<2>,3|C<3>}	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	119.7607	0.961	368	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	4:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	119.1995	0.436	2	119.1995	0.190	2	119.1995	0.190	2	119.1995	0.190	2	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	118.7970	0.120	2	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	118.7970	0.120	2	119.4801	1.723	871	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6,6a]	C[6a,6a]	3:3:1:	3:4:3:	3:3:3:	N[6,6,6a]-3:C[6a,6a]-3:O-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6,6a]O)(C[6a]C[6a]H)	C[6a](N[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-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)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H)	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>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	119.1555	14.435	2	119.1555	14.435	2	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	119.1555	14.435	2	119.1555	14.435	2	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]N[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]N[6])(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:3:	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,6a]-3:C[6a]-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)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]H)(C[6a]C[6a]H)	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.2510	0.000	1	123.2510	0.000	1	123.2510	0.000	1	117.3377	24.319	6	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.8440	0.000	1	114.8440	0.000	1	114.1775	0.474	4	117.3377	24.319	6	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|H<1>,6|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	114.6930	0.000	1	114.6930	0.000	1	114.1775	0.474	4	117.3377	24.319	6	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|H<1>,2|C<3>,2|C<4>,2|N<2>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.6680	0.000	1	113.6680	0.000	1	114.1775	0.474	4	117.3377	24.319	6	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|H<1>,1|N<2>,5|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.5050	0.000	1	113.5050	0.000	1	114.1775	0.474	4	117.3377	24.319	6	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:3:	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,6a]-3:C[6a,6a]-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])	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6,6a]H)	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>}	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6,6a]H){2|H<1>,6|C<3>}	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	117.3377	24.319	6	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.4807	1.085	3	116.4807	1.177	3	116.4807	1.177	3	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]N[6a]H){1|H<1>,2|C<3>,2|C<4>}	116.3990	0.000	1	116.3990	0.000	1	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.1950	0.000	1	114.1950	0.000	1	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	113.8597	0.527	6	113.8597	0.278	6	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	116.4035	0.008	2	116.4035	0.000	2	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(C[6a]O[6a]O){2|C<4>,3|C<3>}	115.6010	0.000	1	115.6010	0.000	1	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO){1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.6100	0.000	1	114.6100	0.000	1	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.1840	0.000	1	114.2170	0.351	9	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,2|O<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.3530	0.000	1	114.2170	0.351	9	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.1075	0.912	4	114.2170	0.351	9	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.4360	0.000	1	114.2170	0.351	9	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	113.9650	0.000	1	114.2170	0.351	9	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	114.5850	0.000	1	114.2170	0.351	9	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.0662	0.607	4	115.0662	0.369	4	114.5995	0.904	25	114.8011	1.242	28	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.1440	0.000	1	114.1440	0.000	1	114.4190	0.151	2	114.4190	0.151	2	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	114.6940	0.000	1	114.6940	0.000	1	114.4190	0.151	2	114.4190	0.151	2	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	4:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[5,6])(O)	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[5,6])(O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O){1|O<2>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.5040	0.148	2	114.5040	0.022	2	114.5040	0.022	2	115.4945	1.588	4	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	4:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O)	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O){2|H<1>,3|C<3>,3|C<4>}	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O){1|Si<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	117.1240	0.000	1	117.1240	0.000	1	116.4850	0.817	2	115.4945	1.588	4	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a,6a]	3:3:1:	4:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O)	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O){2|H<1>,3|C<3>,3|C<4>}	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|Br<1>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	115.8460	0.000	1	115.8460	0.000	1	116.4850	0.817	2	115.4945	1.588	4	115.1923	4.900	41	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:C[6a]-3:H-1:	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])	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.0780	0.000	1	121.6605	0.679	2	120.7400	1.179	6	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	122.2430	0.000	1	121.6605	0.679	2	120.7400	1.179	6	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	119.5030	0.000	2	119.5030	0.000	2	120.7400	1.179	6	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.4190	0.000	1	121.4190	0.000	1	120.7400	1.179	6	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]C)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	120.6940	0.000	1	120.6940	0.000	1	120.7400	1.179	6	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.4970	2.022	2	121.4970	4.090	2	121.6484	1.165	8	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.1860	0.000	1	121.1860	0.000	1	121.6484	1.165	8	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.1380	0.000	1	121.3800	0.046	4	121.6484	1.165	8	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.4607	0.174	3	121.3800	0.046	4	121.6484	1.165	8	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	123.4870	0.000	1	123.4870	0.000	1	121.6484	1.165	8	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]H)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]H)(H){1|H<1>,4|C<3>}	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.7670	0.000	1	120.7670	0.000	1	121.1070	0.179	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]2)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	121.4250	0.000	1	121.4250	0.000	1	121.1070	0.179	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.7990	0.000	1	120.8383	0.067	3	121.1070	0.179	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.6020	0.000	1	120.8383	0.067	3	121.1070	0.179	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.1140	0.000	1	120.8383	0.067	3	121.1070	0.179	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.2360	0.000	1	121.2360	0.000	1	121.1070	0.179	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]C)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	121.8060	0.000	1	121.8060	0.000	1	121.1070	0.179	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	123.1650	0.000	1	123.2430	0.012	2	122.8392	0.087	10	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	123.3210	0.000	1	123.2430	0.012	2	122.8392	0.087	10	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	122.7930	0.000	1	122.7930	0.000	1	122.8392	0.087	10	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	122.9290	0.188	2	122.9290	0.035	2	122.8392	0.087	10	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	122.5275	0.395	2	122.5275	0.156	2	122.8392	0.087	10	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	122.7045	0.076	2	122.7045	0.006	2	122.8392	0.087	10	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	122.7910	0.000	1	122.7910	0.000	1	122.8392	0.087	10	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	122.4840	0.000	1	122.4840	0.000	1	123.4394	0.488	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	123.5645	0.938	2	123.4660	0.469	3	123.4394	0.488	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	123.2690	0.000	1	123.4660	0.469	3	123.4394	0.488	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	123.4300	0.522	2	123.4300	0.272	2	123.4394	0.488	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	124.3340	0.000	1	124.3340	0.000	1	123.4394	0.488	7	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(O)	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6,6a]O)(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(O){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6,6a]O)(H){5|C<3>}	115.5950	0.000	1	115.5950	0.000	1	115.5950	0.000	1	121.6947	3.424	42	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	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]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO){1|N<3>,2|C<3>}	121.0170	0.000	1	121.0170	0.000	1	121.0170	0.000	1	117.8750	19.744	2	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(COO)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(COO){2|C<3>}	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	117.8750	19.744	2	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH){1|H<1>,2|C<3>}	114.4600	0.000	1	114.4600	0.000	1	114.4600	0.000	1	114.4600	0.000	1	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6,6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6,6a]H)(H){1|C<4>,2|C<3>}	121.2063	1.834	6	121.2063	3.362	6	121.2063	3.362	6	118.6145	11.101	11	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6,6a]O)(H)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O){1|C<4>,2|C<3>,3|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6,6a]O)(H){1|C<4>,2|C<3>}	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	118.6145	11.101	11	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(Br)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	118.6145	11.101	11	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]C)(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	115.3690	0.000	1	115.3690	0.000	1	115.6683	0.078	3	118.6145	11.101	11	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|N<3>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	115.7150	0.000	1	115.7150	0.000	1	115.6683	0.078	3	118.6145	11.101	11	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	115.9210	0.000	1	115.9210	0.000	1	115.6683	0.078	3	118.6145	11.101	11	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]S)(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(SC[6a])	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(SC[6a]){1|C<4>,4|C<3>}	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	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]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO){1|C<4>,2|C<3>}	124.0240	0.000	1	123.7930	0.908	13	123.7930	0.908	13	123.7930	0.908	13	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	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]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO){1|C<4>,2|C<3>}	123.7738	0.993	12	123.7930	0.908	13	123.7930	0.908	13	123.7930	0.908	13	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	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]-3:C-4:	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)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6,6a]H)(CH3)	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>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6,6a]H)(CH3){1|C<4>,2|C<3>}	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	119.6086	16.231	7	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:C-4:	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)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH)	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>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH){1|C<4>,1|O<2>,3|C<3>}	123.9300	0.223	2	123.9300	0.050	2	123.9300	0.050	2	119.6086	16.231	7	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6,6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6,6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	119.6086	16.231	7	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|N<2>,2|H<1>,3|C<4>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|C<4>}	115.4323	0.066	3	115.4323	0.004	3	115.4323	0.004	3	119.6086	16.231	7	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:4:3:	3:3:1:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|H<1>,3|C<4>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	115.4730	0.000	1	115.4730	0.000	1	117.0498	1.720	22	117.0498	1.720	22	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:1:	3:4:3:	3:3:1:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|C<4>,3|H<1>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.1249	1.294	21	117.1249	1.676	21	117.0498	1.720	22	117.0498	1.720	22	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	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)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6,6a]N)(C[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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6,6a]N)(C[6a]C[6a]H){1|C<2>,1|H<1>,4|C<3>}	115.3050	0.000	1	115.3050	0.000	1	115.3050	0.000	1	114.7415	0.635	2	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OCd)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OCd){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.7415	0.635	2	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.8530	0.264	2	119.8530	0.070	2	119.8530	0.070	2	120.4265	0.941	4	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:C-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C-3:	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[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6,6a]C)(COO)	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[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6,6a]C)(COO){1|H<1>,4|C<3>}	121.8480	0.000	1	121.8480	0.000	1	121.8480	0.000	1	120.4265	0.941	4	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)2	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)2{4|H<1>,7|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.4265	0.941	4	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	119.6175	0.138	2	119.6175	0.019	2	119.6175	0.019	2	119.6175	0.019	2	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6,6a]C)(H)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3){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]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6,6a]C)(H){1|C<4>,2|C<3>}	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	120.1189	9.809	109	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|H<1>,4|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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.6860	0.000	1	114.6860	0.000	1	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|F<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]F){2|H<1>,4|C<3>}	113.7410	0.000	1	113.7410	0.000	1	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	114.6125	0.209	2	114.6125	0.044	2	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.8870	0.349	2	114.1760	0.114	5	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.3687	0.167	3	114.1760	0.114	5	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.3720	0.000	1	113.3720	0.000	1	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	114.9090	0.018	2	114.5272	0.253	4	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.1455	0.419	2	114.5272	0.253	4	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){2|H<1>,5|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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.5520	0.000	1	115.5520	0.000	1	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.1090	0.914	2	114.0743	0.421	3	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.0050	0.000	1	114.0743	0.421	3	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|H<1>,4|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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	114.4470	0.000	1	114.4470	0.000	1	114.3282	0.313	19	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]N[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]N[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	112.8300	0.000	1	112.8300	0.000	1	112.8300	0.000	1	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	114.5760	0.310	2	114.5683	0.048	3	114.5683	0.048	3	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	114.5530	0.000	1	114.5683	0.048	3	114.5683	0.048	3	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.7850	0.000	1	116.7850	0.000	1	116.7850	0.000	1	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.3100	0.000	1	114.3100	0.000	1	114.3100	0.000	1	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	116.6995	0.485	4	116.6995	0.235	4	116.6995	0.235	4	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.0283	0.062	3	115.0283	0.004	3	115.0283	0.004	3	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.0530	0.000	1	115.0530	0.000	1	115.0530	0.000	1	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]N[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a](N[6a,6a]N[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	114.7243	1.039	34	114.7243	1.039	34	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6,6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6,6a]H)(H){1|B<3>,1|C<3>,1|C<4>}	120.4760	0.000	1	121.0140	0.579	2	121.0140	0.579	2	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6,6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6,6a]H)(H){1|B<3>,2|C<3>}	121.5520	0.000	1	121.0140	0.579	2	121.0140	0.579	2	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]H)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	123.6940	0.000	1	123.6940	0.000	1	123.6940	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	121.3370	0.000	1	121.9581	0.315	14	121.9581	0.315	14	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|I<1>}	121.0470	0.000	1	121.9581	0.315	14	121.9581	0.315	14	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|Br<1>,1|B<3>,1|C<3>}	122.6320	0.429	2	121.9581	0.315	14	121.9581	0.315	14	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|Cl<1>,1|B<3>,1|C<3>}	121.7952	0.332	4	121.9581	0.315	14	121.9581	0.315	14	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,2|C<3>}	121.7125	0.380	2	121.9581	0.315	14	121.9581	0.315	14	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	122.2310	0.479	2	121.9581	0.315	14	121.9581	0.315	14	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,2|C<3>}	122.3485	0.631	2	121.9581	0.315	14	121.9581	0.315	14	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>}	123.7627	0.118	4	123.7627	0.014	4	123.7627	0.014	4	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	122.4735	0.107	2	122.4735	0.011	2	122.4735	0.011	2	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	122.3310	0.000	1	122.3310	0.000	1	122.3310	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(F)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(F){1|B<3>,1|C<3>,1|H<1>}	120.3700	0.677	2	120.3700	0.459	2	120.3700	0.459	2	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	123.6830	0.000	1	123.6830	0.000	1	123.6830	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]H)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]H)(H){1|H<1>,4|C<3>}	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]H)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]H)(H){1|H<1>,4|C<3>}	121.7520	0.000	1	121.7520	0.000	1	121.7520	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.9520	0.000	1	120.9520	0.000	1	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.4720	0.000	1	121.4720	0.000	1	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	122.5110	0.000	1	122.5110	0.000	1	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]O)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	122.3650	0.000	1	122.3650	0.000	1	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.8370	0.000	1	121.8370	0.000	1	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	122.1340	0.000	1	122.3120	0.063	2	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	122.4900	0.000	1	122.3120	0.063	2	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.5645	0.217	2	121.6384	0.331	9	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.8070	0.000	1	121.6384	0.331	9	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.6970	0.000	1	121.6384	0.331	9	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.8226	0.658	5	121.6384	0.331	9	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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]N[6a]O)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.2900	0.000	1	121.2900	0.000	1	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.5190	0.000	1	121.5190	0.000	1	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.8810	0.000	1	120.5429	0.098	11	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	120.5974	0.279	5	120.5429	0.098	11	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.9840	0.000	1	120.5429	0.098	11	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.2133	0.082	3	120.5429	0.098	11	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.4800	0.000	1	120.5429	0.098	11	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.7630	0.000	1	120.7630	0.000	1	121.2684	0.566	30	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(Cl)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|O<2>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	116.4245	0.153	2	116.4245	0.024	2	114.5680	5.108	4	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|Cl<1>,2|C<3>,2|N<2>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){2|Cl<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl){2|C<3>}	112.7115	1.231	2	112.7115	1.516	2	114.5680	5.108	4	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(O){5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H){1|C<2>,4|C<3>}	116.6460	0.000	1	116.6460	0.000	1	116.6460	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(O)	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a,6a]O)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(O){1|H<1>,4|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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a,6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H){1|C<2>,4|C<3>}	114.4590	0.000	1	114.4590	0.000	1	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H){1|C<2>,4|C<3>}	114.7950	0.000	1	114.8270	0.048	4	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	115.1170	0.000	1	114.8270	0.048	4	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(H){5|C<3>}	114.6980	0.163	2	114.8270	0.048	4	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]C)(H){1|C<2>,2|C<3>}	114.8950	0.000	1	114.8950	0.000	1	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	113.0970	0.000	1	113.0970	0.000	1	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	113.8020	0.000	1	113.8020	0.000	1	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	114.6560	0.000	1	114.6560	0.000	1	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N[6])(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	113.3532	0.452	5	113.3532	0.204	5	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	114.1780	0.000	1	114.1780	0.000	1	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,3|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[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	113.0350	0.000	1	113.2995	0.140	2	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){2|C<4>,3|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[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	113.5640	0.000	1	113.2995	0.140	2	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|N<3>,3|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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	113.7820	0.000	2	113.7820	0.000	2	113.9644	0.517	19	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	114.4580	0.000	1	114.4580	0.000	1	114.4580	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	119.4057	13.532	87	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,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	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(C[6a]C[6a]2)	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>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	115.5260	7.636	9	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCO)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCO){2|C<3>}	113.9360	0.000	1	113.9360	0.000	1	113.1920	0.415	3	115.5260	7.636	9	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CC[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	112.8200	0.000	2	112.8200	0.000	2	113.1920	0.415	3	115.5260	7.636	9	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[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]2)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){2|H<1>,5|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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	115.2843	0.216	3	115.2843	0.047	3	115.6160	0.236	5	115.5260	7.636	9	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[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]2)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	116.0030	0.000	1	116.0030	0.000	1	115.6160	0.236	5	115.5260	7.636	9	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[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]2)(O)	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(C[6a]O[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,1|O<1>,1|O<2>,4|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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(C[6a]O[6a]O){2|H<1>,4|C<3>}	116.2240	0.000	1	116.2240	0.000	1	115.6160	0.236	5	115.5260	7.636	9	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	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)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3)	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>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.9420	0.000	1	122.9420	0.000	1	122.9420	0.000	1	116.9197	16.271	4	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(CH3)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){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]O){1|C<4>,7|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(CH3){3|C<3>}	115.1640	0.000	1	115.1880	0.001	2	114.9123	0.229	3	116.9197	16.271	4	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(CH3)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){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]O){3|C<4>,5|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	115.2120	0.000	1	115.1880	0.001	2	114.9123	0.229	3	116.9197	16.271	4	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,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>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	114.3610	0.000	1	114.3610	0.000	1	114.9123	0.229	3	116.9197	16.271	4	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:4:3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]O)(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|Fe<10>,2|C<4>,2|H<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>}	C[6a](C[6a]N[6a,6a]O)(C[5]C[5]2Fe)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:4:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]C)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|H<1>}	124.0570	0.764	2	124.0570	0.583	2	123.5643	1.020	3	123.5643	1.020	3	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	3:4:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>}	122.5790	0.000	1	122.5790	0.000	1	123.5643	1.020	3	123.5643	1.020	3	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	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]-3:H-1:	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)	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(I)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(I){1|H<1>,6|C<3>}	119.0075	0.491	2	119.0075	0.242	2	119.0075	0.242	2	119.6312	1.788	6	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.7080	0.000	1	118.7080	0.000	1	118.7080	0.000	1	119.6312	1.788	6	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|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>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|H<1>,4|C<3>}	119.7590	0.000	1	119.4180	0.233	2	119.4180	0.233	2	119.6312	1.788	6	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|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>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|I<1>,4|C<3>}	119.0770	0.000	1	119.4180	0.233	2	119.4180	0.233	2	119.6312	1.788	6	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]N[6a])(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2){3|H<1>,6|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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]N[6a])(H){1|H<1>,6|C<3>}	122.2280	0.000	1	122.2280	0.000	1	122.2280	0.000	1	119.6312	1.788	6	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.2800	0.000	1	120.2800	0.000	1	120.0399	0.267	7	120.1124	0.271	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.5530	0.000	1	119.5530	0.000	1	120.0399	0.267	7	120.1124	0.271	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.1250	0.000	1	119.1250	0.000	1	120.0399	0.267	7	120.1124	0.271	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.1450	0.000	1	120.1450	0.000	1	120.0399	0.267	7	120.1124	0.271	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.3920	0.210	3	120.3920	0.044	3	120.0399	0.267	7	120.1124	0.271	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[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]2)2	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|N<2>,1|O<1>,2|H<1>,7|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)2{3|H<1>,8|C<3>}	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	120.1124	0.271	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CCHH)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	120.5640	0.000	1	120.5640	0.000	1	120.4912	0.076	5	120.3390	0.605	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CH3)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	120.1160	0.000	1	120.1160	0.000	1	120.4912	0.076	5	120.3390	0.605	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CH3)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	120.3910	0.000	1	120.3910	0.000	1	120.4912	0.076	5	120.3390	0.605	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CH3)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	120.6925	0.262	2	120.6925	0.069	2	120.4912	0.076	5	120.3390	0.605	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){1|H<1>,6|C<3>}	120.8615	0.066	2	120.8615	0.004	2	120.8615	0.004	2	120.3390	0.605	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CC[6a]HH)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	120.3390	0.605	8	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a,6a]C)(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){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]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a](C[6a]N[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	119.4070	0.000	1	119.4070	0.000	1	119.4070	0.000	1	119.4070	0.000	1	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C)(COO)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|O<1>,4|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C)(COO){1|H<1>,1|N<3>,3|C<3>}	117.4700	0.000	1	117.4700	0.000	1	117.4700	0.000	1	117.4700	0.000	1	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C)(CCHH)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH){1|O<1>,4|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	116.5465	0.156	2	116.5465	0.024	2	116.5465	0.024	2	116.5465	0.024	2	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[6a]	3:3:4:	3:4:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C)	C[6a](C[6a]N[6a,6a]C)(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3){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]C){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]C)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	119.2245	11.946	132	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:2:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Cd<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	114.5920	0.000	1	114.7125	0.103	4	114.7125	0.103	4	114.7125	0.103	4	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:2:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Mn<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	114.8285	0.504	2	114.7125	0.103	4	114.7125	0.103	4	114.7125	0.103	4	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:2:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Pb<4>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	114.6010	0.000	1	114.7125	0.103	4	114.7125	0.103	4	114.7125	0.103	4	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:2:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	113.8345	0.974	2	113.8345	0.948	2	114.8842	0.858	6	114.8842	0.858	6	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:2:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	115.4090	0.112	4	115.4090	0.013	4	114.8842	0.858	6	114.8842	0.858	6	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-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)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]H)	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>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	115.0210	4.193	10	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]O)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	115.4110	0.000	1	115.4110	0.000	1	115.4110	0.000	1	115.0210	4.193	10	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,2|H<1>,3|C<3>}	114.9190	0.000	1	114.9190	0.000	1	114.9190	0.000	1	115.0210	4.193	10	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	113.9580	0.000	1	113.9580	0.000	1	113.9580	0.000	1	115.0210	4.193	10	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	114.8690	0.000	2	114.8690	0.000	2	114.6827	0.104	3	115.0210	4.193	10	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|N<2>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	114.3100	0.000	1	114.3100	0.000	1	114.6827	0.104	3	115.0210	4.193	10	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){1|C<3>,2|C<4>,3|H<1>}	115.6960	0.000	1	115.1800	0.533	2	113.9933	4.491	3	115.0210	4.193	10	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){2|C<3>,2|C<4>,2|H<1>}	114.6640	0.000	1	115.1800	0.533	2	113.9933	4.491	3	115.0210	4.193	10	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Pd)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|Pd<4>,1|C<3>,1|N<2>,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>,1|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Pd){1|C<4>,2|C<3>,2|H<1>}	111.6200	0.000	1	111.6200	0.000	1	113.9933	4.491	3	115.0210	4.193	10	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.6690	0.000	1	116.6690	0.000	1	115.8733	0.536	3	115.8733	0.536	3	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	115.7220	0.000	1	115.7220	0.000	1	115.8733	0.536	3	115.8733	0.536	3	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	115.2290	0.000	1	115.2290	0.000	1	115.8733	0.536	3	115.8733	0.536	3	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|O<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	116.0890	0.000	1	116.0890	0.000	1	116.0890	0.000	1	115.2550	0.207	6	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|C<4>,3|H<1>,4|C<3>}	115.3530	0.000	1	115.3530	0.000	1	115.0882	0.050	5	115.2550	0.207	6	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){3|H<1>,5|C<3>}	115.0420	0.000	1	115.0420	0.000	1	115.0882	0.050	5	115.2550	0.207	6	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:1:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	115.0153	0.235	3	115.0153	0.055	3	115.0882	0.050	5	115.2550	0.207	6	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-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)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]H)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	117.9290	45.831	2	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,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>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl){1|C<4>,1|H<1>,3|C<3>}	113.1420	0.000	1	113.1420	0.000	1	113.1420	0.000	1	117.9290	45.831	2	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){5|C<3>}	115.0743	0.257	3	115.0148	0.213	6	115.0148	0.213	6	115.0148	0.213	6	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){5|C<3>}	115.7300	0.000	1	115.0148	0.213	6	115.0148	0.213	6	115.0148	0.213	6	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){1|C<4>,4|C<3>}	114.5680	0.107	2	115.0148	0.213	6	115.0148	0.213	6	115.0148	0.213	6	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:3:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<3>,5|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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,3|H<1>,5|C<3>}	116.4090	0.000	1	116.4090	0.000	1	116.4090	0.000	1	116.4090	0.000	1	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:3:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|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>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){6|C<3>}	115.9460	0.000	1	115.9460	0.000	1	115.9460	0.000	1	115.9460	0.000	1	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:2:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(O){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O){2|H<1>,3|C<4>,4|C<3>}	117.1850	0.000	1	117.1850	0.000	1	117.1850	0.000	1	115.1556	1.807	8	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	115.1556	1.807	8	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH)	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O){2|S<1>,3|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH){1|C<4>,2|C<3>}	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S){2|C<3>,4|C<4>}	114.3700	0.000	1	114.3700	0.000	1	114.3700	0.000	1	115.1556	1.807	8	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,2|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>}	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	115.1556	1.807	8	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C){1|C<3>,2|H<1>,3|C<4>}	114.0340	0.580	2	114.0340	0.336	2	113.8997	0.222	3	115.1556	1.807	8	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Re)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O){1|Re<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Re){2|C<4>,3|C<3>}	113.6310	0.000	1	113.6310	0.000	1	113.8997	0.222	3	115.1556	1.807	8	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C){1|B<4>,1|C<3>,2|C<4>}	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	115.1556	1.807	8	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH){1|C<3>,1|H<1>,3|C<4>}	115.9580	0.000	1	115.9580	0.000	1	115.9863	0.030	3	115.9863	0.030	3	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH){2|C<4>,3|C<3>}	115.8300	0.000	1	115.8300	0.000	1	115.9863	0.030	3	115.9863	0.030	3	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,4|C<4>}	116.1710	0.000	1	116.1710	0.000	1	115.9863	0.030	3	115.9863	0.030	3	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	117.7475	0.022	2	117.6675	0.046	4	117.6675	0.046	4	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.5875	0.334	2	117.6675	0.046	4	117.6675	0.046	4	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	118.3220	0.407	4	118.3543	0.111	6	118.3543	0.111	6	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	118.4190	0.219	2	118.3543	0.111	6	118.3543	0.111	6	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	117.5120	0.000	1	117.5120	0.000	1	117.3535	0.050	2	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	117.1950	0.000	1	117.1950	0.000	1	117.3535	0.050	2	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	116.6440	0.000	1	116.6440	0.000	1	115.9290	0.456	9	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O){3|C<3>,3|C<4>}	116.9530	0.000	1	116.9530	0.000	1	115.9290	0.456	9	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,2|H<1>,4|C<3>}	115.9140	0.000	1	115.9140	0.000	1	115.9290	0.456	9	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	115.0780	0.000	1	115.0780	0.000	1	115.9290	0.456	9	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	116.1270	0.000	1	116.1270	0.000	1	115.9290	0.456	9	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	115.0260	0.000	1	115.2585	0.108	2	115.9290	0.456	9	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	115.4910	0.000	1	115.2585	0.108	2	115.9290	0.456	9	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	116.4370	0.000	1	116.0640	0.278	2	115.9290	0.456	9	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	115.6910	0.000	1	116.0640	0.278	2	115.9290	0.456	9	117.0888	1.379	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O){2|C<3>,2|C<4>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	117.1145	0.084	2	117.1145	0.007	2	117.1145	0.007	2	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	116.2223	0.389	3	116.1438	0.089	5	116.1438	0.089	5	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	116.0260	0.086	2	116.1438	0.089	5	116.1438	0.089	5	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<2>,3|C<3>,4|C<4>}	115.6830	0.206	2	115.8695	0.056	6	115.8695	0.056	6	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	116.0545	0.040	2	115.8695	0.056	6	115.8695	0.056	6	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){4|C<3>,4|C<4>}	115.8710	0.311	2	115.8695	0.056	6	115.8695	0.056	6	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	115.7460	0.000	1	115.7460	0.000	1	115.6599	0.254	8	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,5|C<3>}	116.1950	0.000	1	116.1950	0.000	1	115.6599	0.254	8	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	115.8773	0.596	3	115.8773	0.355	3	115.6599	0.254	8	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|S<2>,3|C<3>,3|C<4>}	115.3350	0.182	2	115.3350	0.033	2	115.6599	0.254	8	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	115.0360	0.000	1	115.0360	0.000	1	115.6599	0.254	8	115.9735	0.301	21	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H){5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,8|C<3>}	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:4:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3){2|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	115.9194	2.576	95	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	115.3420	0.000	1	115.0107	0.483	13	115.0107	0.483	13	115.2854	1.503	14	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,4|H<1>}	115.3360	0.007	2	115.0107	0.483	13	115.0107	0.483	13	115.2854	1.503	14	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	114.9000	0.000	1	115.0107	0.483	13	115.0107	0.483	13	115.2854	1.503	14	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	114.7030	0.006	2	115.0107	0.483	13	115.0107	0.483	13	115.2854	1.503	14	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	115.5010	0.972	2	115.0107	0.483	13	115.0107	0.483	13	115.2854	1.503	14	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	115.0430	0.000	1	115.0107	0.483	13	115.0107	0.483	13	115.2854	1.503	14	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	114.6935	1.072	4	115.0107	0.483	13	115.0107	0.483	13	115.2854	1.503	14	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:O[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a]H)(O){1|B<3>,1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|O<2>,3|H<1>}	118.8570	0.000	1	118.8570	0.000	1	118.8570	0.000	1	115.2854	1.503	14	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,3|H<1>}	115.1490	0.000	1	115.1490	0.000	1	115.1490	0.000	1	114.9220	0.103	2	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,3|H<1>}	114.6950	0.000	1	114.6950	0.000	1	114.6950	0.000	1	114.9220	0.103	2	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	116.3740	0.000	1	116.3740	0.000	1	115.3893	0.912	7	115.2398	0.960	8	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	115.5344	0.606	5	115.5344	0.367	5	115.3893	0.912	7	115.2398	0.960	8	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.6790	0.000	1	113.6790	0.000	1	115.3893	0.912	7	115.2398	0.960	8	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:2:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:S-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]S)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]S)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|S<4>,3|H<1>}	114.1930	0.000	1	114.1930	0.000	1	114.1930	0.000	1	115.2398	0.960	8	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:2:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	112.6470	0.488	2	112.9203	0.343	3	112.9203	0.343	3	112.9203	0.343	3	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:2:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	113.4670	0.000	1	112.9203	0.343	3	112.9203	0.343	3	112.9203	0.343	3	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>}	112.5200	0.211	2	112.5200	0.044	2	113.6310	0.775	16	113.6310	0.775	16	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	113.5440	0.000	1	113.7897	0.674	14	113.6310	0.775	16	113.6310	0.775	16	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	114.1808	1.308	4	113.7897	0.674	14	113.6310	0.775	16	113.6310	0.775	16	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	113.6432	0.588	9	113.7897	0.674	14	113.6310	0.775	16	113.6310	0.775	16	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3: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)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,4|H<1>}	121.1914	0.395	5	121.1914	0.156	5	121.1914	0.156	5	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	B[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]H)(O)	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|B<3>,1|C<3>,4|H<1>}	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	116.9430	0.651	2	116.9430	0.423	2	116.2558	0.649	5	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,3|H<1>}	115.7977	0.548	3	115.7977	0.300	3	116.2558	0.649	5	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	115.7310	0.000	1	115.7310	0.000	1	115.2595	0.445	2	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	114.7880	0.000	1	114.7880	0.000	1	115.2595	0.445	2	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)2(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(H){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	116.3213	0.121	4	116.3213	0.015	4	116.3213	0.015	4	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	116.6730	0.085	2	116.6730	0.007	2	116.6730	0.007	2	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H){5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	114.4580	0.000	1	114.4580	0.000	1	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	115.7040	0.107	2	115.5111	0.135	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,4|H<1>}	116.0690	0.000	1	115.5111	0.135	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,3|H<1>}	115.5500	0.000	1	115.5111	0.135	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|H<1>}	115.4250	0.000	1	115.5111	0.135	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|P<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|P<4>,2|C<3>,3|H<1>}	115.0630	0.023	2	115.5111	0.135	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,3|H<1>}	117.7260	0.000	2	116.4796	1.318	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,4|H<1>}	115.5450	0.000	1	116.4796	1.318	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,3|H<1>}	115.8970	0.000	1	116.4796	1.318	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	115.5040	0.000	1	116.4796	1.318	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	115.5170	0.000	1	115.6173	0.020	3	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,4|H<1>}	115.7780	0.000	1	115.6173	0.020	3	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	115.5570	0.000	1	115.6173	0.020	3	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,4|H<1>}	115.1467	0.894	3	115.0170	0.479	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	114.8225	0.433	2	115.0170	0.479	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	114.0807	0.550	3	114.2112	0.230	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	114.4070	0.430	2	114.2112	0.230	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	114.6710	0.000	1	114.6710	0.000	1	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	114.7300	0.000	1	114.7300	0.000	1	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|N<3>}	113.4110	0.000	1	113.6790	0.151	3	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	113.5010	0.000	1	113.6790	0.151	3	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	114.1250	0.000	1	113.6790	0.151	3	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	114.2270	0.000	1	114.2270	0.000	1	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	114.8670	0.218	2	114.7233	0.183	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	114.3745	0.305	2	114.7233	0.183	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	114.7620	0.000	1	114.7233	0.183	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,3|H<1>}	115.4580	0.000	1	114.7233	0.183	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,4|H<1>}	114.3600	0.000	1	114.7233	0.183	7	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	114.8330	0.000	1	114.8330	0.000	1	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	113.8470	0.135	4	113.9508	0.067	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,2|C<3>,2|H<1>}	114.3660	0.000	1	113.9508	0.067	5	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	113.8400	0.000	1	113.8400	0.000	1	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|O<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	113.8203	0.263	3	113.8203	0.069	3	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	114.3703	0.636	3	114.3703	0.404	3	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|H<1>,3|C<3>}	114.5980	0.000	1	114.5980	0.000	1	114.7878	0.874	53	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O){2|H<1>,5|C<3>}	114.7720	0.000	1	114.7720	0.000	1	114.6085	0.053	2	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H)	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|S<2>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	114.4450	0.000	1	114.4450	0.000	1	114.6085	0.053	2	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.1610	0.000	1	118.1610	0.000	1	118.1610	0.000	1	115.4989	3.368	77	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	113.9770	0.307	2	113.9770	0.094	2	113.9770	0.094	2	113.9770	0.094	2	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]O)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	113.6630	0.000	1	113.6630	0.000	1	113.6630	0.000	1	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	115.0930	0.000	1	113.7780	1.076	5	113.7780	1.076	5	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	113.4493	0.845	4	113.7780	1.076	5	113.7780	1.076	5	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	113.2600	0.000	1	113.2600	0.000	1	112.8677	0.195	3	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	112.6715	0.400	2	112.6715	0.160	2	112.8677	0.195	3	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	114.7390	0.000	1	114.7390	0.000	1	114.9360	1.431	5	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	115.6233	0.628	3	115.6233	0.394	3	114.9360	1.431	5	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|Br<1>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	113.0710	0.000	1	113.0710	0.000	1	114.9360	1.431	5	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)2(ORh)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(ORh){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|O<2>,4|C<3>}	114.9825	1.446	4	114.9825	2.090	4	114.9825	2.090	4	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,3|H<1>}	113.5440	0.000	1	113.4565	0.213	4	113.5757	0.121	8	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	113.4273	0.561	3	113.4565	0.213	4	113.5757	0.121	8	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.8440	0.000	1	113.6950	0.030	4	113.5757	0.121	8	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	113.6550	0.000	1	113.6950	0.030	4	113.5757	0.121	8	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	113.4660	0.000	1	113.6950	0.030	4	113.5757	0.121	8	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	113.8150	0.000	1	113.6950	0.030	4	113.5757	0.121	8	114.0143	1.257	26	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C[6a])(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O){1|N<2>,1|N<3>,2|H<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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	113.8150	0.161	2	113.7755	0.014	4	113.7755	0.014	4	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O){1|N<2>,1|N<3>,2|H<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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	113.8090	0.000	1	113.7755	0.014	4	113.7755	0.014	4	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O){1|N<2>,1|N<3>,2|H<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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	113.6630	0.000	1	113.7755	0.014	4	113.7755	0.014	4	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]C[6a])(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	115.7040	0.000	1	115.7040	0.000	1	115.7040	0.000	1	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	117.1960	0.000	1	117.1960	0.000	1	116.3782	0.374	12	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	117.2470	0.000	1	116.3456	0.239	8	116.3782	0.374	12	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	116.3070	0.680	2	116.3456	0.239	8	116.3782	0.374	12	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|H<1>,4|C<3>}	116.1110	0.000	1	116.3456	0.239	8	116.3782	0.374	12	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|F<1>,1|H<1>,4|C<3>}	116.3840	0.000	1	116.3456	0.239	8	116.3782	0.374	12	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	116.1363	0.319	3	116.3456	0.239	8	116.3782	0.374	12	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	115.1560	0.000	1	115.1560	0.000	1	116.3782	0.374	12	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	116.8680	0.000	1	116.7110	0.049	2	116.3782	0.374	12	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	116.5540	0.000	1	116.7110	0.049	2	116.3782	0.374	12	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	116.2775	0.086	2	116.2775	0.007	2	116.2380	0.008	3	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	116.1590	0.000	1	116.1590	0.000	1	116.2380	0.008	3	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(COO)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(COO){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	115.9440	0.232	2	115.9440	0.054	2	115.9440	0.054	2	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	116.0521	0.174	24	116.1327	0.152	34	116.1327	0.152	34	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	116.3261	0.649	10	116.1327	0.152	34	116.1327	0.152	34	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a,6a]H)(C[6a]N[6a]O){1|N<3>,5|C<3>}	117.0260	0.000	1	117.0260	0.000	1	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O){6|C<3>}	116.4360	0.000	1	116.4360	0.000	1	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	116.4725	0.424	2	116.5808	0.328	60	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	116.4501	0.384	8	116.5808	0.328	60	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	116.7015	0.395	11	116.5808	0.328	60	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	116.7032	0.127	4	116.5808	0.328	60	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	116.5350	0.234	6	116.5808	0.328	60	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|P<4>,5|C<3>}	115.0740	0.000	1	116.5808	0.328	60	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,5|C<3>}	115.6440	0.479	2	116.5808	0.328	60	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	116.7000	0.671	26	116.5808	0.328	60	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]P)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|O<1>,1|P<4>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]P)(C[6a]N[6a]O){1|H<1>,5|C<3>}	117.6040	0.000	1	117.6040	0.000	1	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	115.9195	0.541	2	115.8907	0.267	4	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,5|C<3>}	115.8620	0.711	2	115.8907	0.267	4	116.5594	0.353	67	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	114.7290	0.000	1	114.7290	0.000	1	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	115.4480	0.000	1	115.7477	0.068	3	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	115.8975	0.040	2	115.7477	0.068	3	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<2>,1|H<1>,5|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[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	115.9100	0.000	1	115.8250	0.223	3	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,5|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[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	115.3160	0.000	1	115.8250	0.223	3	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	116.2490	0.000	1	115.8250	0.223	3	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|Si<4>,1|H<1>,5|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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	115.9800	0.000	1	115.9800	0.000	1	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	115.7970	0.000	1	115.7970	0.000	1	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|F<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]O){2|H<1>,3|C<3>}	113.6400	0.000	1	113.6400	0.000	1	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|O<2>,3|C<3>}	114.2220	0.279	3	113.9313	0.108	13	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	113.8840	0.000	1	113.9313	0.108	13	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	113.9253	0.210	3	113.9313	0.108	13	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|I<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	113.6210	0.292	4	113.9313	0.108	13	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	114.1485	0.248	2	113.9313	0.108	13	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|N<2>,2|H<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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	113.8600	0.212	5	113.8600	0.045	5	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,2|N<2>,3|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>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O){4|C<3>}	115.0460	0.000	1	115.0460	0.000	1	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	114.4850	0.000	1	114.8438	0.104	4	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	114.8965	0.336	2	114.8438	0.104	4	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	115.0970	0.000	1	114.8438	0.104	4	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|O<2>,2|N<2>,3|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>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O){4|C<3>}	114.4147	0.616	3	114.4147	0.379	3	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|O<2>,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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	114.9415	0.401	2	114.8670	0.097	3	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	114.7180	0.000	1	114.8670	0.097	3	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){5|C<3>}	114.4190	0.349	2	114.4190	0.122	2	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	115.4870	0.000	1	115.4870	0.000	1	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	115.6800	0.000	1	116.0028	0.074	4	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	116.1665	0.254	2	116.0028	0.074	4	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	115.9980	0.000	1	116.0028	0.074	4	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	114.2790	0.000	1	114.2790	0.000	1	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	114.5380	0.000	1	114.5380	0.000	1	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	114.4670	0.000	1	114.8195	0.249	2	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	115.1720	0.000	1	114.8195	0.249	2	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	114.2910	0.000	1	114.2910	0.000	1	114.6788	0.693	51	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)2(NCH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(NCH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,4|C<3>}	115.8990	0.443	4	115.8990	0.196	4	115.8990	0.196	4	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|H<1>}	116.0240	0.000	1	115.5265	0.495	2	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|H<1>,3|C<3>}	115.0290	0.000	1	115.5265	0.495	2	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,3|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[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|H<1>}	115.3290	0.000	1	115.3865	0.007	2	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|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[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|H<1>}	115.4440	0.000	1	115.3865	0.007	2	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|Cl<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]O)(C[6a]N[6a]O){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	116.4920	0.000	1	116.4920	0.000	1	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	116.1240	0.000	1	116.1240	0.000	1	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	113.4560	0.403	5	113.4560	0.163	5	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	112.8713	0.495	3	112.8713	0.245	3	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	113.1687	0.158	3	113.1687	0.025	3	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	113.9970	0.325	3	113.9970	0.106	3	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	114.3670	0.000	1	114.3670	0.000	1	114.1048	1.420	21	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	111.9520	0.000	1	111.9520	0.000	1	113.2880	0.849	5	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	113.6020	0.544	2	113.6220	0.389	4	113.2880	0.849	5	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|H<1>,2|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	114.3010	0.000	1	113.6220	0.389	4	113.2880	0.849	5	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	112.9830	0.000	1	113.6220	0.389	4	113.2880	0.849	5	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2){1|C<4>,1|N<2>,1|S<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	112.7620	0.000	2	112.7620	0.000	2	112.7620	0.000	2	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	113.0715	0.188	4	113.0715	0.035	4	113.0715	0.035	4	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[5a])(O)	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[5a])(O){1|H<1>,6|C<3>}	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.0335	0.121	2	114.0335	0.015	2	114.0335	0.015	2	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-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)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S)	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>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S){1|H<1>,5|C<3>}	116.8540	0.144	2	116.8540	0.021	2	116.8540	0.021	2	115.5142	1.676	215	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	114.5250	0.000	1	114.5250	0.000	1	114.7188	0.182	9	114.7188	0.182	9	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	114.6155	0.158	2	114.6155	0.025	2	114.7188	0.182	9	114.7188	0.182	9	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	114.7180	0.000	1	114.7180	0.000	1	114.7188	0.182	9	114.7188	0.182	9	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	114.7010	0.698	3	114.7990	0.336	5	114.7188	0.182	9	114.7188	0.182	9	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:2:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	114.9460	0.544	2	114.7990	0.336	5	114.7188	0.182	9	114.7188	0.182	9	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	115.5310	0.000	1	115.5310	0.000	1	114.4985	0.349	8	114.4985	0.349	8	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,3|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,3|C<3>}	114.0580	0.000	1	114.0580	0.000	1	114.4985	0.349	8	114.4985	0.349	8	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	114.9230	0.000	1	114.9230	0.000	1	114.4985	0.349	8	114.4985	0.349	8	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,3|C<4>}	114.7920	0.000	1	114.2952	0.200	5	114.4985	0.349	8	114.4985	0.349	8	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<4>,3|C<3>}	114.1710	0.404	4	114.2952	0.200	5	114.4985	0.349	8	114.4985	0.349	8	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3: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)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	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>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	122.9915	0.227	2	122.9915	0.052	2	121.0463	0.976	12	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3: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)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	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>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.4275	0.549	2	120.4275	0.302	2	121.0463	0.976	12	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3: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)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	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>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.5815	0.497	4	120.5815	0.247	4	121.0463	0.976	12	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3: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)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	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>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.8480	0.309	4	120.8480	0.096	4	121.0463	0.976	12	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3: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)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.6670	0.000	1	120.6670	0.000	1	120.6670	0.000	1	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	116.9110	0.000	1	116.9110	0.000	1	117.0245	0.639	6	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH){5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.7965	0.409	2	116.7965	0.168	2	117.0245	0.639	6	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.0460	0.000	1	117.2143	1.400	3	117.0245	0.639	6	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	117.7985	0.868	2	117.2143	1.400	3	117.0245	0.639	6	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|N<3>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.1560	0.000	1	117.1560	0.000	1	116.8448	0.641	5	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	117.1490	0.137	2	117.1490	0.019	2	116.8448	0.641	5	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	117.3440	0.000	1	117.3440	0.000	1	116.8448	0.641	5	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	115.4260	0.000	1	115.4260	0.000	1	116.8448	0.641	5	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]C)(O){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	116.9670	0.000	1	116.9670	0.000	1	116.9670	0.000	1	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.2007	0.333	3	116.2007	0.111	3	116.3928	0.221	4	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	116.9690	0.000	1	116.9690	0.000	1	116.3928	0.221	4	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|C<4>,1|N<3>,6|C<3>}	117.7350	0.247	2	117.7350	0.061	2	117.7018	0.038	4	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,6|C<3>}	117.6685	0.217	2	117.6685	0.047	2	117.7018	0.038	4	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,6|C<3>}	115.8805	1.083	2	115.8805	1.172	2	115.8805	1.172	2	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|S<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.9363	0.107	3	117.9363	0.011	3	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|S<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.0835	0.702	2	117.0835	0.493	2	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|S<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.4220	0.000	2	117.4220	0.000	2	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,5|C<3>}	116.8995	0.543	4	116.8995	0.295	4	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|H<1>,6|C<3>}	116.9370	0.208	2	116.9370	0.043	2	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.4460	0.819	26	117.4460	0.671	26	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	116.5977	0.132	3	116.5977	0.018	3	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|Br<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.0340	0.153	3	117.0340	0.024	3	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|C<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,4|C<3>}	116.8870	1.814	2	117.0780	1.756	3	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.4600	0.000	1	117.0780	1.756	3	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|Cl<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.3650	0.113	2	117.3650	0.013	2	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	116.7607	0.333	3	116.9458	0.245	119	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	116.9572	0.459	103	116.9458	0.245	119	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,4|C<3>}	117.0600	0.000	1	116.9458	0.245	119	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|P<4>,4|C<3>}	116.4830	0.000	1	116.9458	0.245	119	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,4|C<3>}	117.1207	0.974	6	116.9458	0.245	119	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<4>,4|C<3>}	116.4232	0.304	4	116.9458	0.245	119	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.7110	0.000	1	116.9458	0.245	119	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6])(C[6a]N[6a]O){1|C<4>,1|H<1>,6|C<3>}	117.3720	0.000	1	117.3720	0.000	1	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]P)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]P)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.8670	0.000	1	117.8670	0.000	1	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	117.0300	0.000	1	117.0300	0.000	1	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	116.9735	0.452	2	116.9735	0.204	2	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	116.7202	0.238	4	116.7202	0.057	4	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	116.4495	1.020	4	116.4495	1.041	4	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.2249	0.314	12	117.1825	0.114	13	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|P<4>,4|C<3>}	116.6730	0.000	1	117.1825	0.114	13	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]P)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]P)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	118.1450	0.000	1	118.1450	0.000	1	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CH3)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CH3){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	116.9730	0.093	2	116.9730	0.009	2	117.0488	0.349	198	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH){1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	114.3365	0.086	2	114.3365	0.007	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	116.1770	0.000	1	116.0376	0.058	5	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	115.8345	0.245	2	116.0376	0.058	5	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.1710	0.181	2	116.0376	0.058	5	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	116.1720	0.000	1	116.1790	0.000	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.1860	0.000	1	116.1790	0.000	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.0380	0.000	1	116.0380	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	115.8310	0.000	1	115.8310	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	115.3890	0.000	1	115.1330	0.131	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|Se<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Se<2>,1|C<4>,1|H<1>,3|C<3>}	114.8770	0.000	1	115.1330	0.131	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	115.7240	0.000	1	115.7240	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	114.4050	0.000	1	114.4050	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	114.9720	0.000	1	114.9720	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	114.6870	0.000	1	114.6870	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	115.2535	0.459	2	115.0240	0.263	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	114.5650	0.000	1	115.0240	0.263	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	114.0373	0.201	3	114.0373	0.041	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,3|C<3>}	113.9360	0.000	2	113.9360	0.000	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	113.9120	0.000	1	113.9120	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	113.8475	0.148	2	113.8475	0.022	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	113.6720	0.000	1	113.6720	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,2|C<3>,2|C<4>}	113.5690	0.000	1	113.5505	0.001	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	113.5320	0.000	1	113.5505	0.001	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	113.9690	0.037	3	113.9690	0.001	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	116.2510	0.000	1	115.8175	0.376	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	115.3840	0.000	1	115.8175	0.376	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	115.2646	0.178	5	115.2646	0.032	5	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	115.2180	0.000	1	115.2180	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	116.4950	0.079	2	116.0407	0.622	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	115.1320	0.000	1	116.0407	0.622	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	115.4010	0.000	1	115.4010	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	115.8040	0.000	1	115.8040	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[5,6a]O)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[5,6a]O)(C[6a]N[6a]O){2|C<3>,3|C<4>}	115.8680	0.000	1	115.8680	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	115.1310	0.340	6	115.1310	0.116	6	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){2|C<4>,3|C<3>}	115.4750	0.088	2	115.4750	0.008	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<2>,2|C<4>,4|C<3>}	115.3030	0.000	1	115.3030	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	115.3980	0.000	1	115.3980	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	115.3790	0.000	1	115.9317	0.272	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	116.2080	0.291	2	115.9317	0.272	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	114.6200	0.000	1	114.6200	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	114.7900	0.655	3	114.7900	0.429	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	114.9495	0.021	2	114.9495	0.000	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	115.1190	0.000	1	115.1190	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.8460	0.000	1	114.4657	0.303	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	114.7755	0.172	2	114.4657	0.303	3	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	113.8610	0.000	1	113.8610	0.000	1	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	114.7995	0.170	2	114.7995	0.029	2	115.0264	0.653	74	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O){2|C<4>,5|C<3>}	115.1283	0.849	4	115.1283	0.721	4	115.1283	0.721	4	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O)	N[6a](C[6a]C[6a,6a]O)2(C[4]C[4]2H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.3277	0.341	4	117.3277	0.116	4	117.3277	0.116	4	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)2(C[5]C[5]2H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.4895	0.581	2	117.4895	0.337	2	117.4895	0.337	2	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	115.1120	0.007	2	115.1120	0.000	2	115.1120	0.000	2	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2C){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.1545	0.397	2	117.1545	0.157	2	117.6954	1.404	32	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.8293	1.442	20	117.7315	1.473	30	117.6954	1.404	32	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.5470	0.572	9	117.7315	1.473	30	117.6954	1.404	32	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<4>,4|C<3>}	117.4350	0.000	1	117.7315	1.473	30	117.6954	1.404	32	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	113.4735	0.204	2	113.4735	0.042	2	113.4735	0.042	2	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|S<4>,2|C<3>,3|H<1>}	115.6035	0.254	2	115.6035	0.064	2	114.9473	1.324	3	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|S<4>,2|C<3>,2|H<1>}	113.6350	0.000	1	113.6350	0.000	1	114.9473	1.324	3	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	115.4900	0.000	1	115.4900	0.000	1	115.4900	0.000	1	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3: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)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	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>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<4>,1|H<1>,4|C<3>}	115.4030	0.007	2	115.4030	0.000	2	116.7394	0.748	9	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3: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)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	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>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<4>,1|H<1>,4|C<3>}	117.4060	0.269	3	117.4060	0.072	3	116.7394	0.748	9	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3: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)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	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>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<4>,1|H<1>,4|C<3>}	117.3515	0.176	2	117.3515	0.031	2	116.7394	0.748	9	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3: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)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	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>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<4>,1|H<1>,4|C<3>}	116.4640	0.000	2	116.4640	0.000	2	116.7394	0.748	9	116.7528	2.055	366	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3: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)	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a]O)(C[6a]N[6a]H)	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>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	120.9600	0.000	1	120.9600	0.000	1	120.9600	0.000	1	119.1965	6.220	2	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:4:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[3x6]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]C[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O){2|C<3>,3|C<4>,7|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	119.1965	6.220	2	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	4:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O)	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:1:	4:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[3x6a]-3: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)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	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>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,4|C<3>}	116.3780	0.000	1	116.3780	0.000	1	116.6010	0.099	2	116.6010	0.099	2	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	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)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	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>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,4|C<3>}	116.8240	0.000	1	116.8240	0.000	1	116.6010	0.099	2	116.6010	0.099	2	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(ORh)	N[6a](C[6a]C[6a,6a]O)2(ORh)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(ORh){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(ORh){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|O<2>,4|C<3>}	118.7138	0.154	4	118.7138	0.024	4	118.7138	0.024	4	118.7138	0.024	4	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OCo)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OCo){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.9550	0.257	2	117.9550	0.066	2	117.6990	0.107	5	117.6990	0.107	5	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OLi)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OLi){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.3790	0.000	1	117.3790	0.000	1	117.6990	0.107	5	117.6990	0.107	5	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OMn)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OMn){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.3690	0.000	1	117.3690	0.000	1	117.6990	0.107	5	117.6990	0.107	5	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OZn)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OZn){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.8370	0.000	1	117.8370	0.000	1	117.6990	0.107	5	117.6990	0.107	5	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){5|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	119.3110	0.000	1	119.3110	0.000	1	119.3110	0.000	1	117.0850	9.910	2	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){3|C<3>,3|H<1>}	114.8590	0.000	1	114.8590	0.000	1	114.8590	0.000	1	117.0850	9.910	2	116.0186	2.730	763	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	2:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O)	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|N<3>,2|C<4>}	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	115.9280	0.000	1	115.9280	0.000	1	115.9280	0.000	1	115.9280	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(O)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	113.9520	0.000	1	113.9520	0.000	1	113.9520	0.000	1	113.9520	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(F){1|F<1>,1|H<1>,1|N<2>}	113.4990	0.000	1	113.4990	0.000	1	114.5167	0.863	3	114.7367	0.367	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(F){1|F<1>,1|H<1>,1|N<2>}	115.0255	0.416	2	115.0255	0.173	2	114.5167	0.863	3	114.7367	0.367	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|N<2>,2|H<1>}	115.0035	0.844	2	115.0035	0.712	2	114.8101	0.264	9	114.7367	0.367	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	114.9880	0.000	1	114.7549	0.218	7	114.8101	0.264	9	114.7367	0.367	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	114.8200	0.000	1	114.7549	0.218	7	114.8101	0.264	9	114.7367	0.367	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,1|O<2>}	115.2070	0.000	1	114.7549	0.218	7	114.8101	0.264	9	114.7367	0.367	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Cl<1>,1|H<1>,1|N<2>}	114.8470	0.000	1	114.7549	0.218	7	114.8101	0.264	9	114.7367	0.367	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	114.4740	0.631	3	114.7549	0.218	7	114.8101	0.264	9	114.7367	0.367	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,3|C<3>,3|H<1>}	114.2100	0.000	1	114.2100	0.000	1	114.2100	0.000	1	115.7724	1.627	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	115.7724	1.627	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH){1|F<1>,1|H<1>,1|N<2>}	116.7635	0.153	2	116.7635	0.024	2	116.7635	0.024	2	115.7724	1.627	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|F<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(N[6]C[6]2){1|F<1>,1|N<2>,2|C<4>,5|H<1>}	116.5600	0.000	1	116.5600	0.000	1	116.5600	0.000	1	115.7724	1.627	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	114.9150	0.228	2	114.9150	0.052	2	114.8648	0.090	4	114.8648	0.090	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	114.4910	0.000	1	114.4910	0.000	1	114.8648	0.090	4	114.8648	0.090	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|N<2>,2|H<1>}	115.1380	0.000	1	115.1380	0.000	1	114.8648	0.090	4	114.8648	0.090	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl){1|C<4>,1|H<1>,1|N<2>}	114.2650	0.000	1	114.2650	0.000	1	114.0150	0.134	3	114.3552	0.421	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(Cl){1|H<1>,1|N<2>,3|C<4>}	114.1850	0.000	1	114.1850	0.000	1	114.0150	0.134	3	114.3552	0.421	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl){1|C<4>,1|H<1>,1|N<2>}	113.5950	0.000	1	113.5950	0.000	1	114.0150	0.134	3	114.3552	0.421	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<4>,1|N<2>,3|C<3>}	114.4607	1.093	3	114.4607	1.195	3	114.4687	0.487	9	114.3552	0.421	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|N<2>,2|C<4>}	114.4255	0.596	2	114.4255	0.355	2	114.4687	0.487	9	114.3552	0.421	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	114.4030	0.000	1	114.4030	0.000	1	114.4687	0.487	9	114.3552	0.421	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,1|N<2>,1|O<2>}	114.6740	0.000	1	114.1935	0.462	2	114.4687	0.487	9	114.3552	0.421	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	113.7130	0.000	1	114.1935	0.462	2	114.4687	0.487	9	114.3552	0.421	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,1|N<2>,1|O<2>}	115.1950	0.000	1	115.1950	0.000	1	114.4687	0.487	9	114.3552	0.421	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O){3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	114.2095	1.307	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(SC)	C[6a](C[6a]C[6a]S)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(SC){1|Cl<1>,1|C<4>,1|N<2>}	115.0180	0.000	1	115.0180	0.000	1	115.0180	0.000	1	114.2095	1.307	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	114.4860	0.000	1	114.4860	0.000	1	114.4405	0.004	2	114.4405	0.004	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	114.3950	0.000	1	114.3950	0.000	1	114.4405	0.004	2	114.4405	0.004	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	115.0598	0.641	4	115.0598	0.411	4	115.4914	0.524	7	115.4914	0.524	7	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O){1|C<4>,1|H<1>,1|N<2>}	116.1040	0.402	2	116.1040	0.161	2	115.4914	0.524	7	115.4914	0.524	7	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:2:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>}	115.9930	0.000	1	115.9930	0.000	1	115.4914	0.524	7	115.4914	0.524	7	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	113.7330	0.000	1	113.7330	0.000	1	114.6240	0.463	5	114.6240	0.463	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	114.8468	0.535	4	114.8468	0.286	4	114.6240	0.463	5	114.6240	0.463	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	115.5000	0.000	1	115.5000	0.000	1	115.0705	0.513	4	114.8592	0.608	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO){1|H<1>,2|C<3>}	114.9210	0.000	1	114.9210	0.000	1	115.0705	0.513	4	114.8592	0.608	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	114.1260	0.000	1	114.1260	0.000	1	115.0705	0.513	4	114.8592	0.608	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	115.7350	0.000	1	115.7350	0.000	1	115.0705	0.513	4	114.8592	0.608	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(PO3)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(PO3){1|H<1>,2|C<3>}	114.0140	0.000	1	114.0140	0.000	1	114.0140	0.000	1	114.8592	0.608	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:Br-1:	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)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	117.8300	0.000	1	117.8300	0.000	1	117.8300	0.000	1	114.4718	5.021	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	113.3523	0.114	3	113.3523	0.013	3	113.3523	0.013	3	114.4718	5.021	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:2:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	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)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	120.1370	0.000	1	120.1370	0.000	1	120.1370	0.000	1	115.8273	8.413	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:2:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	113.9350	0.000	1	113.9350	0.000	1	114.3907	0.237	3	115.8273	8.413	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:2:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	114.9030	0.000	1	114.9030	0.000	1	114.3907	0.237	3	115.8273	8.413	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:2:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	114.3340	0.000	1	114.3340	0.000	1	114.3907	0.237	3	115.8273	8.413	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]Br)(C[6a]O[6a]O)(H)	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>}	C[6a](C[6a]N[6a]Br)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	123.4855	0.377	2	123.4855	0.142	2	123.4855	0.142	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]O[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl){1|O<2>,2|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]O[6a]O)(Cl){1|C<3>,1|H<1>}	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.6740	0.000	1	123.1715	0.226	4	123.1715	0.226	4	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	123.3373	0.416	3	123.1715	0.226	4	123.1715	0.226	4	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,2|H<1>}	120.3607	0.337	3	120.3607	0.114	3	120.7446	0.334	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,2|H<1>}	121.2810	0.000	1	121.2810	0.000	1	120.7446	0.334	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,2|H<1>}	121.3600	0.000	1	121.3600	0.000	1	120.7446	0.334	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(H){1|H<1>,4|C<3>}	121.5260	0.000	1	121.5260	0.000	1	121.5260	0.000	1	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	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>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	121.2835	0.045	2	121.2835	0.002	2	121.7250	0.586	3	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	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>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.6080	0.000	1	122.6080	0.000	1	121.7250	0.586	3	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	120.0400	0.000	1	120.0400	0.000	1	120.0400	0.000	1	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	121.2730	0.000	1	121.2730	0.000	1	121.2730	0.000	1	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,2|H<1>}	118.9930	0.000	1	118.9930	0.000	1	119.0375	0.004	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	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)	C[6a](C[6a]N[6a]H)2(Br)	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>}	C[6a](C[6a]N[6a]H)2(Br){1|C<3>,1|H<1>}	119.0820	0.000	1	119.0820	0.000	1	119.0375	0.004	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,2|H<1>}	119.2287	0.128	4	119.2287	0.016	4	119.5996	0.700	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Cl)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Cl){1|H<1>,2|C<3>}	121.0830	0.000	1	121.0830	0.000	1	119.5996	0.700	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|H<1>}	118.5942	0.427	45	118.6226	0.195	47	119.1829	0.635	84	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|H<1>}	119.2625	0.250	2	118.6226	0.195	47	119.1829	0.635	84	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,2|H<1>}	119.8909	0.540	36	119.8947	0.284	37	119.1829	0.635	84	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|H<1>,2|C<3>}	120.0290	0.000	1	119.8947	0.284	37	119.1829	0.635	84	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	121.0770	0.000	1	121.0770	0.000	1	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	120.6066	0.204	5	120.6066	0.042	5	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	120.4040	0.000	1	120.4926	0.332	45	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6235	0.722	2	120.4926	0.332	45	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	119.5770	0.206	5	120.4926	0.332	45	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	120.6290	0.547	26	120.4926	0.332	45	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	120.5705	0.410	11	120.4926	0.332	45	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	121.3030	0.000	1	121.7782	0.119	4	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.9367	0.168	3	121.7782	0.119	4	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	120.7410	0.000	1	120.7410	0.000	1	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.0281	0.963	32	121.0422	0.904	33	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.4920	0.000	1	121.0422	0.904	33	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	122.2200	0.000	1	122.2200	0.000	1	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]O[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	121.7145	0.009	2	121.7145	0.000	2	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	120.6920	0.000	1	121.2259	0.663	46	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	121.2400	0.837	43	121.2259	0.663	46	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.1900	0.383	2	121.2259	0.663	46	120.9461	0.681	138	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:I-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I){1|C<3>,2|H<1>}	121.3190	0.488	2	121.3190	0.238	2	121.3190	0.238	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.6505	0.244	2	119.6505	0.060	2	119.6505	0.060	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:H-1:	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)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	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>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.0133	0.295	3	121.0133	0.087	3	121.0133	0.087	3	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]N[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.5840	0.000	1	114.5840	0.000	1	114.5840	0.000	1	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[5a,6a]N[5a,6a]N[5,5a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5,5a])(C[6a]N[6a]O)(H){1|B<4>,1|H<1>,3|C<3>}	114.7995	0.013	2	114.7995	0.000	2	114.7995	0.000	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.2745	0.416	2	114.7412	0.508	5	114.7412	0.508	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	115.0523	0.753	3	114.7412	0.508	5	114.7412	0.508	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	116.1824	0.390	5	116.1824	0.152	5	116.1824	0.152	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	113.5690	1.048	2	113.5690	1.098	2	113.6570	0.572	3	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	113.8330	0.000	1	113.8330	0.000	1	113.6570	0.572	3	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	113.1670	0.000	1	113.7180	0.607	2	113.7180	0.607	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|H<1>,2|C<3>}	114.2690	0.000	1	113.7180	0.607	2	113.7180	0.607	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|F<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|H<1>}	112.4540	0.000	1	112.4540	0.000	1	112.7206	0.581	74	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(F){1|C<3>,1|H<1>}	112.0770	0.000	1	112.0770	0.000	1	112.7206	0.581	74	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	112.1531	0.547	33	112.7333	0.590	72	112.7206	0.581	74	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,2|H<1>}	113.2720	0.554	36	112.7333	0.590	72	112.7206	0.581	74	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|H<1>,2|C<3>}	112.6503	0.117	3	112.7333	0.590	72	112.7206	0.581	74	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	115.7560	0.260	4	115.7560	0.068	4	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<2>,1|H<1>,3|C<3>}	115.0550	0.000	1	114.9677	0.243	3	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	114.9240	0.689	2	114.9677	0.243	3	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	114.4130	0.000	1	114.9090	0.492	2	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.4050	0.000	1	114.9090	0.492	2	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.3923	0.495	3	115.5798	0.432	29	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.6169	0.631	23	115.5798	0.432	29	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.4830	1.157	3	115.5798	0.432	29	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	116.3060	0.531	5	116.3060	0.282	5	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	115.6310	0.157	2	115.6310	0.025	2	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	115.9920	0.000	1	115.9920	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.9964	0.281	5	115.9964	0.079	5	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	115.6170	0.000	1	115.5293	0.471	48	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.1140	0.579	4	115.5293	0.471	48	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.4756	0.621	26	115.5293	0.471	48	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	115.2290	0.527	4	115.5293	0.471	48	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.8502	0.825	13	115.5293	0.471	48	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	116.7520	0.000	1	116.7520	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.6480	0.759	2	115.6480	0.577	2	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.2390	0.000	1	114.9803	0.050	3	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	114.8510	0.000	2	114.9803	0.050	3	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	113.4845	0.177	2	113.4845	0.032	2	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	113.8492	0.236	4	113.8492	0.056	4	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	112.5870	0.264	2	112.5870	0.070	2	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	115.6500	0.000	1	115.6500	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	116.1265	0.292	2	115.4633	0.798	6	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,2|H<1>}	115.6500	1.228	2	115.4633	0.798	6	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|Co<6>,1|C<3>,1|H<1>}	114.5560	0.000	1	115.4633	0.798	6	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|Ni<6>,1|C<3>,1|H<1>}	114.6710	0.000	1	115.4633	0.798	6	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	115.0650	0.000	1	115.0650	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	114.2703	0.695	10	114.2703	0.483	10	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	115.0787	0.613	3	115.0787	0.375	3	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	115.4420	0.000	1	115.4420	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	115.7391	0.668	14	115.7391	0.447	14	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	115.1020	0.008	2	115.1020	0.000	2	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	114.2890	0.000	1	114.2890	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.7190	0.000	1	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	113.6650	0.000	1	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	114.9310	0.830	29	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|Cd<6>,1|C<3>,1|H<1>}	114.4720	0.000	1	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|Co<6>,1|C<3>,1|H<1>}	114.1353	0.549	11	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|Mg<6>,1|C<3>,1|H<1>}	114.9160	0.000	1	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	114.2910	0.000	1	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	114.5823	0.550	3	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|Zn<6>,1|C<3>,1|H<1>}	114.0870	0.000	1	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.0163	0.499	3	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.1354	0.512	10	114.7546	0.567	62	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	115.1990	0.000	2	115.1990	0.000	2	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	114.6577	0.202	3	114.6577	0.041	3	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.5850	0.569	69	114.5844	0.312	72	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|W<6>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|W<6>}	114.5380	0.000	1	114.5844	0.312	72	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	114.8260	0.000	1	114.5844	0.312	72	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	114.3470	0.000	1	114.5844	0.312	72	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.9645	0.021	2	115.9645	0.000	2	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	115.0070	0.000	1	115.0070	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	113.7820	0.000	1	114.3990	0.453	3	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	114.2980	0.000	1	114.3990	0.453	3	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	115.1170	0.000	1	114.3990	0.453	3	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	115.0830	0.000	1	115.0830	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,2|H<1>}	116.7070	0.565	20	116.7070	0.319	20	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.7330	0.000	1	115.7330	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	112.9070	0.000	1	112.9070	0.000	1	115.1350	0.862	320	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	113.8160	0.629	2	113.9682	0.190	4	113.9682	0.190	4	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I){1|C<3>,2|H<1>}	114.1205	0.286	2	113.9682	0.190	4	113.9682	0.190	4	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	116.2570	0.626	2	116.2570	0.392	2	116.2570	0.392	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	120.5335	0.743	2	120.9957	0.917	3	121.6748	1.355	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.9200	0.000	1	120.9957	0.917	3	121.6748	1.355	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.6935	0.359	2	122.6935	0.129	2	121.6748	1.355	5	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	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]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	120.3990	0.000	1	120.3990	0.000	1	121.0191	1.102	7	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	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]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	122.6240	0.000	1	122.6240	0.000	1	121.0191	1.102	7	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	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]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.4410	0.000	1	121.4410	0.000	1	121.0191	1.102	7	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	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]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	119.5510	0.000	1	120.2333	0.358	3	121.0191	1.102	7	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	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]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	120.4820	0.000	1	120.2333	0.358	3	121.0191	1.102	7	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	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]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	120.6670	0.000	1	120.2333	0.358	3	121.0191	1.102	7	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	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]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.9700	0.000	1	121.9700	0.000	1	121.0191	1.102	7	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	115.9640	0.000	1	115.9470	0.038	5	116.0274	0.053	8	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	116.2040	0.000	1	115.9470	0.038	5	116.0274	0.053	8	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	115.8557	0.172	3	115.9470	0.038	5	116.0274	0.053	8	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	116.3620	0.000	1	116.1613	0.068	3	116.0274	0.053	8	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	116.2560	0.000	1	116.1613	0.068	3	116.0274	0.053	8	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.8660	0.000	1	116.1613	0.068	3	116.0274	0.053	8	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	117.3520	0.242	2	117.3520	0.058	2	117.3520	0.058	2	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.3079	0.662	8	115.3079	0.438	8	115.3465	0.311	11	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.4540	0.000	2	115.4540	0.000	2	115.3465	0.311	11	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.4410	0.000	1	115.4410	0.000	1	115.3465	0.311	11	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(Br)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(Br){1|H<1>,2|C<3>}	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.8430	0.000	1	114.8430	0.000	1	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.5780	0.000	1	116.0021	0.141	7	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	116.1390	0.467	3	116.0021	0.141	7	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	116.0067	0.297	3	116.0021	0.141	7	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	115.6148	0.750	4	115.6148	0.562	4	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.5900	0.000	1	115.7481	0.252	16	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.8253	0.410	15	115.7481	0.252	16	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	116.9890	0.000	1	116.9890	0.000	1	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	116.8360	0.000	1	116.8360	0.000	1	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	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]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.4850	0.808	6	115.4850	0.653	6	115.7784	0.401	36	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	117.1480	0.000	1	117.1480	0.000	1	116.7709	0.339	13	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	116.7395	0.596	12	116.7395	0.356	12	116.7709	0.339	13	116.8249	8.676	756	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	121.2860	0.376	2	121.2860	0.142	2	121.2860	0.142	2	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CN)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	120.9520	0.000	1	120.9520	0.000	1	120.9520	0.000	1	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(OH)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(OH){1|C<3>,2|H<1>}	120.4810	0.000	1	120.4810	0.000	1	120.4800	0.000	2	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH){1|C<3>,2|H<1>}	120.4790	0.000	1	120.4790	0.000	1	120.4800	0.000	2	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	114.1580	0.000	1	114.1580	0.000	1	114.1580	0.000	1	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	115.1710	0.000	1	115.1710	0.000	1	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|H<1>,2|C<3>}	116.1050	0.000	1	116.1050	0.000	1	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	114.2410	0.000	1	114.7640	0.222	5	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){2|H<1>,3|C<3>}	115.0770	0.273	3	114.7640	0.222	5	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,4|C<3>}	114.3480	0.000	1	114.7640	0.222	5	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	114.2905	0.477	4	114.2905	0.227	4	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC){1|C<3>,2|H<1>}	115.3240	0.000	1	115.3240	0.000	1	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC){1|C<3>,1|C<4>,1|H<1>}	114.6795	0.019	2	114.6795	0.000	2	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	114.2140	0.000	1	114.2140	0.000	1	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(CN){1|H<1>,1|S<2>,2|C<3>}	114.2820	0.000	1	114.2820	0.000	1	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	114.9920	0.000	1	114.9920	0.000	1	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	113.8470	0.000	1	113.8470	0.000	1	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)2(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	115.1750	0.168	2	115.1750	0.028	2	114.7313	0.344	20	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN){1|C<2>,1|C<3>,1|H<1>}	116.2390	0.000	1	116.2390	0.000	1	115.4518	0.692	6	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,1|H<1>}	116.2170	0.000	1	116.2170	0.000	1	115.4518	0.692	6	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	115.6135	0.654	2	115.6135	0.428	2	115.4518	0.692	6	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	114.5140	0.123	2	114.5140	0.015	2	115.4518	0.692	6	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){3|C<3>,4|H<1>}	114.8910	0.023	2	114.8910	0.001	2	114.4290	0.641	3	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a]){1|C<4>,3|C<3>,3|H<1>}	113.5050	0.000	1	113.5050	0.000	1	114.4290	0.641	3	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,2|H<1>}	115.2890	0.259	4	115.2890	0.067	4	114.4996	1.168	10	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OH){1|C<3>,2|H<1>}	115.6410	0.000	1	115.6410	0.000	1	114.4996	1.168	10	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)2(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]O)2(OC[6a]){1|C<3>,1|H<1>}	113.1875	0.805	2	113.1875	0.649	2	114.4996	1.168	10	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|H<1>}	113.4430	0.047	2	113.4430	0.002	2	114.4996	1.168	10	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH){1|C<3>,2|H<1>}	114.9380	0.000	1	114.9380	0.000	1	114.4996	1.168	10	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]O)(CN){1|H<1>,4|C<3>}	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	114.9745	0.316	4	114.9745	0.100	4	114.9344	0.083	5	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	114.7740	0.000	1	114.7740	0.000	1	114.9344	0.083	5	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(OH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(OH){1|H<1>,4|C<3>}	115.6290	0.000	1	115.6290	0.000	1	115.7700	0.040	2	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(OH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(OH){1|H<1>,2|C<3>}	115.9110	0.000	1	115.9110	0.000	1	115.7700	0.040	2	115.4111	3.801	53	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	123.0790	0.000	1	123.0790	0.000	1	123.0790	0.000	1	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,2|H<1>}	122.8500	0.000	1	122.8500	0.000	1	121.9569	2.519	26	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	120.2120	0.000	1	120.5928	0.077	10	121.9569	2.519	26	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,2|H<1>}	120.6351	0.257	9	120.5928	0.077	10	121.9569	2.519	26	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	119.9060	0.000	1	119.9060	0.000	1	121.9569	2.519	26	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCP)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCP){1|C<3>,2|H<1>}	122.0110	0.000	1	122.0110	0.000	1	121.9569	2.519	26	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO){1|C<3>,2|H<1>}	123.0910	0.000	1	123.0910	0.000	1	121.9569	2.519	26	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>}	123.5239	1.085	10	123.5239	1.176	10	121.9569	2.519	26	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(COO){1|C<3>,2|H<1>}	120.9270	0.348	2	120.9270	0.121	2	121.9569	2.519	26	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3: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)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	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>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,4|H<1>}	121.7310	0.399	4	121.7310	0.159	4	121.8799	0.133	7	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3: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)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	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>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|H<1>,4|C<3>}	122.0783	0.239	3	122.0783	0.057	3	121.8799	0.133	7	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	119.3470	0.000	1	119.3470	0.000	1	121.2602	0.643	12	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	120.8590	0.000	1	121.6854	0.294	7	121.2602	0.643	12	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,2|H<1>}	121.8232	0.439	6	121.6854	0.294	7	121.2602	0.643	12	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	120.9943	0.182	4	120.9943	0.033	4	121.2602	0.643	12	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(C[6]C[6]2){3|H<1>,4|C<3>}	114.9990	0.000	1	114.9990	0.000	1	114.9990	0.000	1	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	114.7230	0.000	1	114.7230	0.000	1	114.1381	0.892	8	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	115.9470	0.000	1	115.9470	0.000	1	114.1381	0.892	8	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	113.8654	0.547	5	113.7392	0.335	6	114.1381	0.892	8	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	113.1080	0.000	1	113.7392	0.335	6	114.1381	0.892	8	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	114.3720	0.175	2	114.3720	0.031	2	114.3720	0.031	2	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|H<1>,5|C<3>}	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>}	115.9200	0.000	1	115.9200	0.000	1	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]H){1|C<3>,2|H<1>}	115.8560	0.000	1	115.8560	0.000	1	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,2|H<1>}	115.6485	0.125	2	115.6485	0.016	2	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>}	115.9105	0.436	6	115.9105	0.190	6	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCO){1|C<3>,2|H<1>}	116.0155	0.155	4	116.0155	0.024	4	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	116.0100	1.254	3	116.0100	1.573	3	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CC[6a]C){1|H<1>,3|C<3>}	115.3130	0.000	1	115.3130	0.000	1	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>,1|H<1>}	114.1050	0.000	1	114.1050	0.000	1	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	112.5470	0.000	1	112.5470	0.000	1	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCP)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCP){1|C<3>,2|H<1>}	117.1520	0.000	1	117.1520	0.000	1	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CClC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CClC){1|C<3>,1|C<4>,1|H<1>}	114.1600	0.000	1	114.1600	0.000	1	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	114.1210	0.868	3	114.0825	0.508	4	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO){1|C<3>,2|H<1>}	113.9670	0.000	1	114.0825	0.508	4	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>}	113.9509	2.561	10	113.9509	6.560	10	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	115.6300	0.000	1	115.6300	0.000	1	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	115.8400	0.000	1	115.8400	0.000	1	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(CCN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|H<1>}	117.1382	0.306	4	117.1382	0.094	4	115.2325	3.009	42	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|C<4>,1|F<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]N[6a]O){3|C<3>,4|H<1>}	116.4790	0.188	2	116.4790	0.035	2	115.4987	0.625	7	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|H<1>,4|C<3>}	115.5730	0.000	1	115.5730	0.000	1	115.4987	0.625	7	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.3230	0.000	1	114.3230	0.000	1	115.4987	0.625	7	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	115.2123	0.282	3	115.2123	0.079	3	115.4987	0.625	7	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,2|H<1>}	112.0070	0.382	2	111.9560	0.081	3	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	111.8540	0.000	1	111.9560	0.081	3	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	114.6370	0.076	2	114.6370	0.006	2	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	113.9480	0.000	1	113.9480	0.000	1	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]O)2(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]O)2(NCH){1|C<3>,2|H<1>}	116.6230	0.460	2	116.6230	0.211	2	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,2|H<1>}	112.4392	0.401	6	112.4392	0.161	6	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	115.3500	0.000	1	115.3500	0.000	1	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH){1|C<3>,2|H<1>}	115.3850	0.000	1	115.3850	0.000	1	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(NCoO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]O)2(NCoO){1|C<3>,2|H<1>}	114.4310	0.000	1	114.4310	0.000	1	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(NCuO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]O)2(NCuO){1|C<3>,2|H<1>}	115.7820	0.000	1	115.7820	0.000	1	113.7733	2.887	18	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H){1|C<3>,1|H<1>,1|O<1>}	117.5800	0.000	1	117.5800	0.000	1	117.6695	0.016	2	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>}	117.7590	0.000	1	117.7590	0.000	1	117.6695	0.016	2	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCO){1|H<1>,2|C<3>}	124.3295	0.032	2	124.3295	0.001	2	123.9575	0.123	6	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|H<1>,2|C<3>}	123.8075	0.134	2	123.7715	0.066	4	123.9575	0.123	6	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|H<1>,2|C<3>}	123.7355	0.418	2	123.7715	0.066	4	123.9575	0.123	6	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]2)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(O)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>,3|H<1>}	117.3210	0.000	1	117.3210	0.000	1	117.3210	0.000	1	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	116.2270	0.000	1	116.2270	0.000	1	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){1|H<1>,4|C<3>}	116.3710	0.264	2	116.3710	0.070	2	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){1|H<1>,4|C<3>}	115.2850	0.000	1	115.2850	0.000	1	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH){1|H<1>,2|C<3>}	116.0880	0.000	1	116.0880	0.000	1	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCO)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCO){1|H<1>,2|C<3>}	115.4090	0.000	1	115.4090	0.000	1	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){1|H<1>,2|C<3>}	116.5640	0.000	1	116.1855	0.173	4	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){1|H<1>,2|C<3>}	116.0593	0.404	3	116.1855	0.173	4	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	114.9260	0.000	1	114.9260	0.000	1	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	117.8365	1.276	2	117.8365	1.629	2	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO){1|H<1>,2|C<3>}	116.3170	0.000	1	116.3170	0.000	1	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[5]O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[5]O){1|H<1>,2|C<3>}	116.5727	0.247	3	116.5727	0.061	3	116.3016	0.694	17	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,6|C<3>}	116.3140	0.884	2	116.3140	0.781	2	116.3225	0.717	6	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	115.5240	0.071	2	115.5240	0.005	2	116.3225	0.717	6	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	116.7960	0.000	1	116.7960	0.000	1	116.3225	0.717	6	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	117.4630	0.000	1	117.4630	0.000	1	116.3225	0.717	6	117.4519	12.816	159	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(CCCH){1|C<3>,2|H<1>}	124.6940	0.000	1	124.6940	0.000	1	124.6940	0.000	1	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2H){2|H<1>,3|C<3>}	123.1450	0.000	1	123.1450	0.000	1	123.1450	0.000	1	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO)	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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<1>}	120.8540	0.000	1	120.8540	0.000	1	122.5268	1.652	22	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|Cl<1>,1|C<3>,1|H<1>}	120.4770	0.000	1	120.4770	0.000	1	122.5268	1.652	22	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,2|H<1>}	121.4390	0.133	3	121.4390	0.018	3	122.5268	1.652	22	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	121.4510	0.000	1	121.4510	0.000	1	122.5268	1.652	22	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	122.1850	0.000	1	122.1850	0.000	1	122.5268	1.652	22	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3){1|C<3>,2|H<1>}	122.4070	0.000	1	122.4070	0.000	1	122.5268	1.652	22	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	123.1532	1.258	12	123.1685	1.453	13	122.5268	1.652	22	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	123.3530	0.000	1	123.1685	1.453	13	122.5268	1.652	22	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHHO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,2|H<1>}	122.7070	0.000	1	122.7070	0.000	1	122.5268	1.652	22	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NRuHH)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NRuHH){1|C<3>,2|H<1>}	120.8760	0.000	1	120.8760	0.000	1	120.8760	0.000	1	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(SO3)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(SO3){1|C<3>,2|H<1>}	120.5860	0.000	1	120.5860	0.000	1	120.5860	0.000	1	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	115.6540	0.000	1	115.6540	0.000	1	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	115.8165	0.520	2	115.8165	0.270	2	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	116.1770	1.203	3	116.1770	1.448	3	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	116.3580	0.000	1	116.3580	0.000	1	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]N[6a]O)2(CC[6a]CH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]O)2(CC[6a]CH){1|C<3>,1|H<1>}	114.3010	0.076	3	114.3010	0.006	3	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH){1|C<3>,1|H<1>}	115.5160	0.484	2	115.5160	0.234	2	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	115.8090	0.692	2	115.8090	0.478	2	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	116.2090	0.000	1	116.2090	0.000	1	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	115.7866	0.586	5	115.7866	0.343	5	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(CCCH){1|C<3>,2|H<1>}	116.3380	0.000	1	116.3380	0.000	1	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	114.6820	0.000	1	114.8480	0.055	2	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	115.0140	0.000	1	114.8480	0.055	2	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	117.4150	0.000	1	117.4150	0.000	1	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCo2C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCo2C){1|C<3>,1|C<4>,1|H<1>}	114.5980	0.000	1	114.5980	0.000	1	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3){1|C<3>,2|H<1>}	114.6370	0.000	1	114.3010	0.226	2	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3){1|C<3>,1|C<4>,1|H<1>}	113.9650	0.000	1	114.3010	0.226	2	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	116.3732	1.403	12	115.3547	0.621	124	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	115.2747	0.593	106	115.3547	0.621	124	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	115.0740	0.577	4	115.3547	0.621	124	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Rh<6>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|Rh<6>,1|C<3>,1|H<1>}	114.0460	0.197	2	115.3547	0.621	124	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,2|H<1>}	115.1310	0.000	1	115.1310	0.000	1	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,2|H<1>}	115.9660	0.542	2	115.9660	0.293	2	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<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>,1|H<1>}	C[6a](C[6a]N[6a]O)2(CCCH){1|C<3>,2|H<1>}	117.3865	0.520	2	117.3865	0.270	2	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]O)2(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	116.1670	0.000	1	116.1670	0.000	1	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|H<1>}	115.4290	0.000	1	115.4290	0.000	1	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	115.4803	0.290	3	115.4803	0.084	3	115.4247	0.682	161	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NRuHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NRuHH){1|C<3>,2|H<1>}	115.5090	0.000	1	115.5090	0.000	1	115.5090	0.000	1	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHO){1|H<1>,2|C<3>}	123.4290	0.000	1	123.4290	0.000	1	123.4290	0.000	1	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCHH){1|H<1>,4|C<3>}	116.2550	0.000	1	116.2550	0.000	1	116.8160	0.322	3	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHNP)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHNP){1|H<1>,2|C<3>}	116.8030	0.000	1	116.8030	0.000	1	116.8160	0.322	3	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	117.3900	0.000	1	117.3900	0.000	1	116.8160	0.322	3	116.4461	6.941	192	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O){1|H<1>,6|C<3>}	116.3940	0.091	2	116.3940	0.008	2	116.3940	0.008	2	116.3940	0.008	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	4:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3: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)	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	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>}	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,6|H<1>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	116.2456	7.009	7	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){2|H<1>,6|C<3>}	115.4110	0.000	1	115.4110	0.000	1	115.6955	0.162	2	116.2456	7.009	7	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	115.9800	0.000	1	115.9800	0.000	1	115.6955	0.162	2	116.2456	7.009	7	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[3x6]C[6,6]3)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,7|H<1>}	114.6710	0.000	1	114.6710	0.000	1	114.6710	0.000	1	116.2456	7.009	7	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Fe<10>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	115.3100	0.578	2	115.3100	0.335	2	115.1687	0.227	3	116.2456	7.009	7	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|N<4>,1|O<1>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,6|H<1>}	114.8860	0.000	1	114.8860	0.000	1	115.1687	0.227	3	116.2456	7.009	7	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:2:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3){1|C<3>,1|N<2>}	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.9070	1.138	2	118.9070	1.296	2	119.4547	1.548	3	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	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])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.5500	0.000	1	120.5500	0.000	1	119.4547	1.548	3	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	114.4245	0.759	2	114.4245	0.576	2	114.3577	0.584	17	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	114.5047	0.412	12	114.5047	0.170	12	114.3577	0.584	17	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	114.0715	2.170	2	114.0715	4.709	2	114.3577	0.584	17	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	113.0330	0.000	1	113.0330	0.000	1	114.3577	0.584	17	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O){1|O<2>,2|C<3>}	116.3940	0.000	1	116.3940	0.000	1	116.3940	0.000	1	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O){1|Cl<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>}	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	113.7325	0.286	2	113.9980	0.252	3	113.9980	0.252	3	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	114.5290	0.000	1	113.9980	0.252	3	113.9980	0.252	3	114.9534	3.683	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|N<2>}	112.9663	0.626	3	112.9663	0.392	3	112.9663	0.392	3	112.9663	0.392	3	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|N<2>,3|C<3>}	121.6953	0.310	4	121.6953	0.096	4	121.6953	0.096	4	121.5861	1.093	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3: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)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	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>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.1440	0.125	4	122.1440	0.016	4	122.1440	0.016	4	121.5861	1.093	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H)	N[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>,1|O<2>}	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	121.5861	1.093	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:2:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]O)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	114.3847	0.320	4	114.3847	0.103	4	114.3847	0.103	4	114.3847	0.103	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	2:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(Cl)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(Cl){3|C<3>}	112.6425	0.100	2	112.6425	0.010	2	112.6425	0.010	2	112.9097	0.219	3	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	2:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){3|C<3>}	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	112.9097	0.219	3	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	2:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,5|C<3>}	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H){1|C<4>,2|C<3>}	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,1|N<3>,5|C<3>}	114.7510	0.000	1	114.7510	0.000	1	114.7510	0.000	1	114.7510	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|N<3>}	113.1410	0.000	1	113.1410	0.000	1	112.6328	0.141	5	112.6328	0.141	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3){1|C<3>,1|N<3>}	112.6695	0.292	2	112.6695	0.085	2	112.6328	0.141	5	112.6328	0.141	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|N<3>}	112.3420	0.221	2	112.3420	0.049	2	112.6328	0.141	5	112.6328	0.141	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|H<1>,2|C<3>}	121.0837	0.254	3	121.0837	0.065	3	121.0837	0.065	3	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	120.4220	0.000	1	120.4220	0.000	1	121.5660	0.663	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.0880	0.000	1	121.0880	0.000	1	121.5660	0.663	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	120.7970	0.000	1	120.7970	0.000	1	121.5660	0.663	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	122.4712	0.276	4	122.4712	0.076	4	121.5660	0.663	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CN[6a]C)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.2585	0.452	4	121.2585	0.204	4	121.5660	0.663	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|O<2>,2|C<3>}	121.8022	0.404	10	121.8022	0.163	10	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.1780	0.000	1	121.2657	0.394	16	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.3251	0.676	12	121.2657	0.394	16	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|O<2>,2|C<3>}	120.5440	0.000	1	121.2657	0.394	16	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	120.9200	0.000	1	121.2657	0.394	16	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.7090	0.000	1	121.2657	0.394	16	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.6155	0.637	2	121.6679	0.304	10	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.1445	0.900	2	121.6679	0.304	10	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.8598	0.387	6	121.6679	0.304	10	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.6790	0.000	1	122.7745	2.400	2	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|N<3>,2|C<3>}	123.8700	0.000	1	122.7745	2.400	2	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.3250	0.088	2	121.3250	0.008	2	121.5788	0.453	40	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Cl){1|H<1>,2|C<3>}	112.9860	0.000	1	112.9860	0.000	1	112.9860	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|H<1>,2|C<3>}	112.1850	0.000	1	112.1850	0.000	1	112.1850	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.8600	0.000	1	115.8600	0.000	1	114.9614	0.958	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.5790	0.000	1	114.5790	0.000	1	114.9614	0.958	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.2310	0.000	1	114.2310	0.000	1	114.9614	0.958	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.8815	0.613	4	115.8815	0.376	4	114.9614	0.958	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	114.0948	0.437	4	114.0948	0.191	4	114.9614	0.958	11	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]2)(O){1|N<3>,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>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	116.5760	0.000	1	116.5760	0.000	1	116.5760	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(F){1|C<4>,2|C<3>}	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	116.1400	0.000	1	116.1400	0.000	1	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.2650	0.000	1	114.5180	0.245	16	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	114.1590	0.000	1	114.5180	0.245	16	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.4947	0.517	12	114.5180	0.245	16	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.2320	0.000	1	114.5180	0.245	16	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.6950	0.000	1	114.5180	0.245	16	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	114.3110	0.000	1	114.3110	0.000	1	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	115.3120	0.000	1	115.3120	0.000	1	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.4240	0.175	2	115.4240	0.031	2	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,3|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[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.8440	0.409	2	114.8440	0.167	2	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.0570	0.000	1	114.4155	0.257	2	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){3|C<3>}	114.7740	0.000	1	114.4155	0.257	2	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|S<2>,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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.8880	0.000	1	114.8880	0.000	1	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|Se<2>,1|C<4>,1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){2|C<3>}	115.2820	0.190	2	115.2820	0.036	2	114.7454	0.341	28	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)(H){1|O<2>,2|C<3>}	122.0205	0.200	2	122.0205	0.040	2	122.0205	0.040	2	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|O<2>,2|C<3>}	121.8060	0.000	1	121.8060	0.000	1	121.8060	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){3|C<3>}	122.8580	0.000	1	122.8580	0.000	1	122.8580	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	123.0470	0.000	1	123.0470	0.000	1	123.0470	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	121.3390	0.547	2	121.3390	0.300	2	121.3390	0.300	2	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.8632	0.484	4	121.5104	0.495	8	121.5104	0.495	8	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|H<1>,2|C<3>}	121.1575	0.768	4	121.5104	0.495	8	121.5104	0.495	8	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(O)	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.3010	0.000	1	114.3010	0.000	1	114.3010	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){3|C<3>}	114.8470	0.000	1	114.8470	0.000	1	114.8470	0.000	1	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){3|C<3>}	115.9880	0.000	1	115.9880	0.000	1	115.0843	0.735	3	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){3|C<3>}	114.6325	0.496	2	114.6325	0.246	2	115.0843	0.735	3	118.8120	12.052	119	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|H<1>,2|C<3>}	114.8220	0.000	1	114.8220	0.000	1	115.2505	0.367	2	115.2104	3.058	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|N<3>,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>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|C<2>,2|C<3>}	115.6790	0.000	1	115.6790	0.000	1	115.2505	0.367	2	115.2104	3.058	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O){2|H<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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|H<1>,2|C<3>}	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	115.2104	3.058	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<3>}	114.4170	0.000	1	114.4170	0.000	1	113.8338	0.186	4	115.2104	3.058	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<3>}	113.8870	0.000	1	113.8870	0.000	1	113.8338	0.186	4	115.2104	3.058	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|N<3>,2|C<3>}	113.4380	0.000	1	113.4380	0.000	1	113.8338	0.186	4	115.2104	3.058	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|N<3>}	113.5930	0.000	1	113.5930	0.000	1	113.8338	0.186	4	115.2104	3.058	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	112.8120	0.000	1	112.8120	0.000	1	112.8120	0.000	1	115.2104	3.058	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(O)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(O){1|N<2>,1|N<3>,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>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,4|C<3>}	117.3383	0.514	4	117.3383	0.264	4	117.3383	0.264	4	115.2104	3.058	12	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-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)	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	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>}	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	124.3080	0.000	1	124.3080	0.000	1	124.3080	0.000	1	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	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]-3:C-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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(COO){3|C<3>}	123.0680	0.000	1	123.0680	0.000	1	122.5785	0.479	2	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	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]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|H<1>,2|C<3>}	122.0890	0.000	1	122.0890	0.000	1	122.5785	0.479	2	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|N<3>,3|C<3>}	119.8340	0.000	1	119.8340	0.000	1	120.5553	0.404	3	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|N<3>,3|C<3>}	120.9160	0.165	2	120.9160	0.027	2	120.5553	0.404	3	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)(O){7|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[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,3|H<1>,5|C<3>}	117.6110	0.929	2	117.6110	0.863	2	117.6110	0.863	2	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,4|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[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){3|C<3>}	114.0860	0.000	1	114.0860	0.000	1	114.6027	0.200	3	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|S<2>,2|C<3>}	114.8450	0.000	1	114.8450	0.000	1	114.6027	0.200	3	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]O[6a])(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|O<1>,1|O<2>,3|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>}	C[6a](C[6a]C[6a]O[6a])(C[6a]N[6a]O)(CC[6a]O){4|C<3>}	114.8770	0.000	1	114.8770	0.000	1	114.6027	0.200	3	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|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>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	115.1685	0.175	8	115.1685	0.031	8	115.1685	0.031	8	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NSS)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NSS){1|H<1>,2|C<3>}	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]N)(O){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){1|H<1>,1|N<3>,3|C<3>}	114.3100	0.000	1	114.3100	0.000	1	114.3100	0.000	1	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	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]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){3|C<3>}	124.2065	0.344	2	124.2065	0.119	2	124.2065	0.119	2	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	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]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|N<3>,2|C<3>}	124.2730	0.000	1	124.2730	0.000	1	124.2730	0.000	1	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|O<1>,2|N<3>,4|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	117.7940	0.000	1	117.7940	0.000	1	117.7940	0.000	1	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	115.9930	0.000	1	115.9930	0.000	1	116.1350	0.040	2	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,7|C<3>}	116.2770	0.000	1	116.2770	0.000	1	116.1350	0.040	2	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[6]C[6]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	116.3820	0.000	1	116.3820	0.000	1	116.3820	0.000	1	117.7059	14.524	28	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	123.7830	0.153	4	123.7830	0.023	4	123.7830	0.023	4	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|H<1>,2|C<3>}	122.9490	0.000	1	122.9490	0.000	1	121.7925	2.675	2	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|F<1>,2|C<3>}	120.6360	0.000	1	120.6360	0.000	1	121.7925	2.675	2	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	114.9900	0.000	1	114.8760	0.440	5	114.8760	0.440	5	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	114.8475	0.763	4	114.8760	0.440	5	114.8760	0.440	5	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O){2|C<4>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	116.6400	0.298	2	116.6400	0.089	2	116.6753	0.048	3	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH){1|Si<4>,4|C<3>}	116.7460	0.000	1	116.7460	0.000	1	116.6753	0.048	3	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]O)2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,2|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>}	C[6a](C[6a]N[6a]O)2(CH3){3|C<3>}	115.4147	0.411	4	115.4147	0.169	4	116.3250	0.761	14	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,4|C<3>}	116.2420	0.000	1	116.2420	0.000	1	116.3250	0.761	14	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	115.9780	0.000	1	115.9780	0.000	1	116.3250	0.761	14	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)2(CC3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,4|C<3>}	C[6a](C[6a]N[6a]O)2(CC3){3|C<3>}	117.2685	0.787	4	117.2685	0.619	4	116.3250	0.761	14	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,4|C<3>}	C[6a](C[6a]N[6a]O)2(CH3){3|C<3>}	116.6585	0.446	2	116.6585	0.199	2	116.3250	0.761	14	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|Ni<7>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,4|C<3>}	C[6a](C[6a]N[6a]O)2(CH3){3|C<3>}	116.1400	0.208	2	116.1400	0.043	2	116.3250	0.761	14	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[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]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CH3){3|C<3>}	117.0130	0.414	2	117.0130	0.172	2	117.0130	0.172	2	117.5233	9.162	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.0000	0.372	2	114.0000	0.138	2	114.0000	0.138	2	114.0000	0.138	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<4>,2|C<3>}	113.8450	0.000	1	113.8450	0.000	1	113.8740	0.002	2	113.8740	0.002	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<4>,2|C<3>}	113.9030	0.000	1	113.9030	0.000	1	113.8740	0.002	2	113.8740	0.002	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	116.6680	0.000	1	116.6680	0.000	1	116.6980	0.002	2	115.4345	0.499	21	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	116.7280	0.000	1	116.7280	0.000	1	116.6980	0.002	2	115.4345	0.499	21	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	115.4083	0.395	7	115.4083	0.156	7	115.4929	0.137	16	115.4345	0.499	21	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	116.0490	0.192	2	116.0490	0.037	2	115.4929	0.137	16	115.4345	0.499	21	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	115.3780	0.000	1	115.2180	0.019	3	115.4929	0.137	16	115.4345	0.499	21	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	115.1380	0.014	2	115.2180	0.019	3	115.4929	0.137	16	115.4345	0.499	21	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	115.5693	0.209	4	115.5693	0.044	4	115.4929	0.137	16	115.4345	0.499	21	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	114.2803	0.580	3	114.2803	0.337	3	114.2803	0.337	3	115.4345	0.499	21	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	115.7013	0.142	3	115.7013	0.020	3	115.7013	0.020	3	115.6273	0.248	19	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	115.8524	0.218	7	115.8524	0.047	7	115.6134	0.293	16	115.6273	0.248	19	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	115.8527	0.261	3	115.8527	0.068	3	115.6134	0.293	16	115.6273	0.248	19	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	115.6760	0.221	3	115.6760	0.049	3	115.6134	0.293	16	115.6273	0.248	19	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	115.6030	0.000	1	115.6030	0.000	1	115.6134	0.293	16	115.6273	0.248	19	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	2:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF){1|C<4>,2|C<3>}	114.3295	0.015	2	114.3295	0.000	2	115.6134	0.293	16	115.6273	0.248	19	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:2:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:Cl-1:	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)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|Pd<4>,1|C<3>,1|C<4>}	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	119.4055	2.435	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:2:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:H-1:	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)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	120.5090	0.000	1	120.5090	0.000	1	120.5090	0.000	1	119.4055	2.435	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:2:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	114.4190	0.000	1	114.4190	0.000	1	114.4190	0.000	1	114.4190	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:2:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|C<4>}	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Br<1>,1|B<3>,1|C<4>}	122.7990	0.484	2	122.7990	0.234	2	122.6794	0.418	13	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,1|C<4>,1|H<1>}	122.7210	0.000	1	122.7210	0.000	1	122.6794	0.418	13	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,1|C<4>,1|H<1>}	122.6435	0.391	2	122.6435	0.153	2	122.6794	0.418	13	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,1|C<4>,1|H<1>}	123.8975	0.062	2	123.8975	0.004	2	122.6794	0.418	13	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,1|C<4>,1|H<1>}	122.1390	0.000	1	122.1390	0.000	1	122.6794	0.418	13	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,1|C<4>,1|H<1>}	122.3750	0.242	4	122.3750	0.058	4	122.6794	0.418	13	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,1|C<4>,1|H<1>}	121.7920	0.000	1	121.7920	0.000	1	122.6794	0.418	13	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	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)	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H)	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>}	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	125.5678	0.193	4	125.5678	0.037	4	125.6458	0.058	5	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	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)	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H)	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>}	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	125.9580	0.000	1	125.9580	0.000	1	125.6458	0.058	5	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	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>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	121.0180	0.000	1	121.0180	0.000	1	122.0527	1.355	3	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	121.8270	0.000	1	121.8270	0.000	1	122.0527	1.355	3	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.3130	0.000	1	123.3130	0.000	1	122.0527	1.355	3	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|C<4>}	119.6963	0.459	3	119.6963	0.211	3	120.8069	0.274	26	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	120.9343	0.316	22	120.9343	0.100	22	120.8069	0.274	26	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	121.3360	0.000	1	121.3360	0.000	1	120.8069	0.274	26	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]B[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]B[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	119.8440	0.000	1	119.8440	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	122.2940	0.249	2	122.2940	0.062	2	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	122.5140	0.000	1	122.5140	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	122.1540	0.000	1	122.1540	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	122.4663	0.339	7	122.4663	0.115	7	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	122.2887	0.722	3	122.2887	0.522	3	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	119.8680	0.000	1	119.8680	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	121.7310	0.000	1	121.8950	0.054	2	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.0590	0.000	1	121.8950	0.054	2	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.9878	0.801	4	120.9878	0.641	4	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.8250	0.000	1	121.8250	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	121.9580	0.000	1	121.9580	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.5960	0.000	1	121.5960	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.4927	0.433	3	121.5135	0.082	6	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	121.5343	0.131	3	121.5135	0.082	6	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.0590	0.037	2	121.4220	0.255	6	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	121.1035	0.138	4	121.4220	0.255	6	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	121.6449	0.370	7	121.4337	0.314	11	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.0860	0.000	1	121.4337	0.314	11	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	120.7237	0.177	3	121.4337	0.314	11	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.2737	0.368	3	121.2737	0.136	3	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.5040	0.000	1	120.5040	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.9366	0.821	9	121.9366	0.673	9	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.8292	0.539	13	122.8292	0.291	13	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)2(H)	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>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>,1|C<4>}	120.5720	0.000	1	120.5720	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.7810	0.000	1	122.7810	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	123.2020	0.000	1	123.2020	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	122.0070	0.000	1	122.0070	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	123.1080	0.115	2	123.1080	0.013	2	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.5110	0.000	1	122.5110	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.1020	0.000	1	121.1020	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	120.7800	0.000	1	120.7800	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	122.5263	0.261	3	123.0195	0.330	6	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	123.5127	0.167	3	123.0195	0.330	6	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.5940	0.657	13	121.5217	0.472	14	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	120.5820	0.000	1	121.5217	0.472	14	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.7775	0.052	2	122.4747	0.276	3	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|Pt<4>,1|C<3>,1|C<4>}	121.8690	0.000	1	122.4747	0.276	3	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	122.2630	0.000	1	122.2630	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	120.3050	0.000	1	120.3050	0.000	1	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.9103	0.252	12	121.9103	0.063	12	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.7272	0.138	4	121.7272	0.019	4	121.9077	0.682	124	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I){1|C<3>,1|C<4>,1|I<1>}	120.9110	0.583	2	120.9110	0.339	2	120.9110	0.339	2	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Si<4>,1|C<3>,1|S<4>}	120.3060	0.000	1	120.3060	0.000	1	120.3060	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I)(H){1|C<4>,1|H<1>,3|C<3>}	122.5760	0.000	1	122.5760	0.000	1	122.5760	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	116.3715	0.384	2	116.3715	0.147	2	116.3260	0.080	3	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.2350	0.000	1	116.2350	0.000	1	116.3260	0.080	3	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|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>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|C<4>,1|S<2>,3|C<3>}	115.3880	0.000	1	115.3880	0.000	1	115.3880	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<4>,1|O<1>,3|C<3>}	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	113.5880	0.000	1	113.5880	0.000	1	113.9235	0.225	2	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(Br){1|C<3>,2|C<4>}	114.2590	0.000	1	114.2590	0.000	1	113.9235	0.225	2	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.1900	0.000	1	115.1900	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.1080	0.000	1	115.1080	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	115.8180	0.000	1	115.8180	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.5450	0.000	1	115.5450	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.4487	0.199	3	115.4487	0.039	3	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.3170	0.000	1	115.3170	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	116.0270	0.000	1	116.0270	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<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>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	115.3320	0.000	1	115.3320	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.1550	0.000	1	115.1550	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.5430	0.236	3	114.5430	0.056	3	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.7885	0.169	2	115.7885	0.029	2	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.2100	0.000	1	115.2100	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.1063	0.448	3	115.1063	0.201	3	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.7050	0.000	1	114.7050	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.6780	0.000	1	114.6780	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.6847	0.232	3	114.6847	0.054	3	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|Cl<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	117.3530	0.000	1	117.3530	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.9910	0.000	1	114.9910	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.8390	0.055	2	115.3140	0.317	5	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.1940	0.171	2	115.3140	0.317	5	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|O<2>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	114.5040	0.000	1	115.3140	0.317	5	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,4|C<4>}	115.2829	0.443	7	115.2829	0.196	7	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,2|C<4>}	116.1360	0.151	2	116.1360	0.023	2	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,2|C<4>}	116.7467	0.456	8	116.7467	0.208	8	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	114.9740	0.000	1	114.9740	0.000	1	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	115.3320	0.000	1	114.8445	0.475	2	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|S<2>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	114.3570	0.000	1	114.8445	0.475	2	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH)	C[6a](C[6a]N[6a]O)(C[6a]O[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(C[6a]O[6a]C)(H){1|C<3>,1|C<4>}	114.6745	0.131	2	114.6745	0.017	2	115.4660	0.615	54	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(I){1|C<4>,2|C<3>}	114.5250	0.000	1	114.5250	0.000	1	114.5250	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	117.6420	0.000	1	117.6420	0.000	1	117.7345	0.017	2	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|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[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	117.8270	0.000	1	117.8270	0.000	1	117.7345	0.017	2	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H){1|N<3>,1|O<1>,3|C<4>}	117.2710	0.000	1	117.2710	0.000	1	117.2710	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Si<4>,1|B<3>,1|H<1>}	123.8260	0.000	1	123.8260	0.000	1	123.8260	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	122.7830	0.000	1	122.7830	0.000	1	122.7830	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Br-1:	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)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	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>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|C<4>,1|N<2>}	120.9740	0.000	1	120.9740	0.000	1	120.7520	0.043	4	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Br-1:	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)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	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>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|C<4>,1|N<2>}	120.6780	0.180	3	120.6780	0.032	3	120.7520	0.043	4	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	121.6147	0.188	3	121.6147	0.035	3	121.8120	0.184	6	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	121.3700	0.000	1	121.3700	0.000	1	121.8120	0.184	6	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	122.2990	0.000	1	122.2990	0.000	1	121.8120	0.184	6	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	122.3590	0.000	1	122.3590	0.000	1	121.8120	0.184	6	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	129.2680	0.000	1	129.2680	0.000	1	124.2115	11.667	4	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	122.1370	0.052	2	122.1370	0.003	2	124.2115	11.667	4	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	123.3040	0.000	1	123.3040	0.000	1	124.2115	11.667	4	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	123.5610	0.000	1	123.5610	0.000	1	123.5610	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	122.5280	0.000	1	122.5280	0.000	1	122.5280	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.9000	0.000	1	122.9320	0.122	3	122.9320	0.122	3	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.6000	0.000	1	122.9320	0.122	3	122.9320	0.122	3	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	123.2960	0.000	1	122.9320	0.122	3	122.9320	0.122	3	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(Br)	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(Br){2|C<4>,3|C<3>}	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	113.8900	0.000	1	113.8900	0.000	1	113.8900	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.3710	0.178	2	116.3710	0.032	2	116.3660	0.673	10	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.8910	0.215	3	115.8910	0.046	3	116.3660	0.673	10	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	118.5750	0.000	1	118.5750	0.000	1	116.3660	0.673	10	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.1630	0.236	2	116.1630	0.056	2	116.3660	0.673	10	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.8840	0.000	1	115.8840	0.000	1	116.3660	0.673	10	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.4600	0.000	1	116.4600	0.000	1	116.3660	0.673	10	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:I-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(I)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(I){1|C<4>,4|C<3>}	116.1040	0.000	1	116.1040	0.000	1	116.1040	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<3>,1|C<4>,1|N<2>}	117.3520	0.508	2	117.7780	0.203	7	117.8158	0.152	16	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	117.9484	0.336	5	117.7780	0.203	7	117.8158	0.152	16	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	117.9978	0.335	6	117.9978	0.112	6	117.8158	0.152	16	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	117.4020	0.000	1	117.4020	0.000	1	117.8158	0.152	16	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	117.6090	0.173	2	117.6090	0.030	2	117.8158	0.152	16	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	120.0086	9.290	293	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:Se-2:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SeC[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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SeC[6a]){1|C<4>,1|H<1>,3|C<3>}	123.4690	0.000	1	123.4690	0.000	1	123.4690	0.000	1	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	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)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CN)	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>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CN){1|C<4>,1|H<1>,3|C<3>}	121.9680	0.000	1	121.9680	0.000	1	121.9680	0.000	1	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	115.7330	0.417	2	115.7330	0.174	2	115.2905	0.988	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|H<1>}	114.6423	0.785	4	114.6423	0.616	4	115.2905	0.988	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,1|C<4>,3|C<3>}	115.6520	0.499	2	115.6520	0.249	2	115.2905	0.988	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,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>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<3>}	116.0270	0.000	1	116.0270	0.000	1	115.2905	0.988	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|C<4>}	113.5060	0.000	1	113.5060	0.000	1	115.2905	0.988	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<2>}	116.7920	0.000	1	116.7920	0.000	1	115.2905	0.988	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<2>}	115.8220	0.000	1	115.8220	0.000	1	115.2905	0.988	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	115.7427	0.416	15	115.6999	0.191	16	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	115.0570	0.000	1	115.6999	0.191	16	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	115.5580	0.287	6	115.5580	0.082	6	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,1|N<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	116.6685	0.829	2	116.2192	0.568	5	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	115.9197	0.676	3	116.2192	0.568	5	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	116.0240	0.000	1	116.2835	0.135	2	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>,1|H<1>}	116.5430	0.000	1	116.2835	0.135	2	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	114.9220	0.174	2	114.9220	0.030	2	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	115.3100	0.000	1	115.3100	0.000	1	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	115.2580	0.000	1	115.2580	0.000	1	115.7158	0.294	33	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	114.5970	0.000	1	114.5970	0.000	1	114.5970	0.000	1	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	113.8250	0.000	1	113.8250	0.000	1	115.3762	1.331	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|H<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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	116.7157	0.409	4	116.7157	0.167	4	115.3762	1.331	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	114.8753	0.839	3	114.8753	0.704	3	115.3762	1.331	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>}	114.8000	0.597	4	114.8000	0.357	4	115.3762	1.331	12	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|C<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(CN){1|C<4>,2|C<3>}	116.0960	0.000	1	116.0960	0.000	1	116.0960	0.000	1	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(NN)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(NN){1|C<4>,2|C<3>}	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(OH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(OH){1|C<4>,2|C<3>}	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Se-2:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(SeC[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(SeC[6a]){1|C<4>,4|C<3>}	116.0730	0.000	1	116.0730	0.000	1	116.0730	0.000	1	115.7855	2.232	65	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|B<3>,1|C<4>,1|H<1>}	123.0660	0.000	1	122.7375	0.216	2	122.6993	0.112	3	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|B<3>,1|C<4>,1|I<1>}	122.4090	0.000	1	122.7375	0.216	2	122.6993	0.112	3	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|B<3>,1|C<4>,1|H<1>}	122.6230	0.000	1	122.6230	0.000	1	122.6993	0.112	3	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|Br<1>,1|B<3>,1|C<4>}	120.9450	0.222	2	121.0457	0.089	4	121.0457	0.089	4	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|B<3>,1|C<4>,1|H<1>}	121.1465	0.421	2	121.0457	0.089	4	121.0457	0.089	4	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3: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)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(C[6a]N[6a]H)	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>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,3|C<3>,3|C<4>}	124.0940	0.000	1	124.0940	0.000	1	124.0940	0.000	1	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3: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)	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	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>}	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	123.6306	0.591	5	123.6306	0.349	5	123.6306	0.349	5	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	122.2067	0.639	3	122.2067	0.408	3	122.1892	0.316	10	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	122.1900	0.000	1	122.1900	0.000	1	122.1892	0.316	10	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	121.8000	0.000	1	121.8000	0.000	1	122.1892	0.316	10	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>}	122.1370	0.000	1	122.1065	0.002	2	122.1892	0.316	10	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	122.0760	0.000	1	122.1065	0.002	2	122.1892	0.316	10	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|C<4>,3|C<3>}	122.0700	0.000	1	122.0700	0.000	1	122.1892	0.316	10	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	123.4090	0.000	1	123.4090	0.000	1	122.1892	0.316	10	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHH)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHH){1|C<3>,1|C<4>,1|H<1>}	121.5900	0.000	1	121.5900	0.000	1	122.1892	0.316	10	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3: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)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	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>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	122.8090	0.000	1	122.8090	0.000	1	122.8090	0.000	1	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[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](C[6a]C[6a]N)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	120.9580	0.000	1	120.9580	0.000	1	120.9580	0.000	1	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6,6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]N[6a]O)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]N[6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	116.3860	0.000	1	116.3860	0.000	1	116.3860	0.000	1	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,5|C<3>}	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O){1|C<4>,2|N<3>,4|C<3>}	115.8940	0.000	1	115.8940	0.000	1	115.8940	0.000	1	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>,3|C<4>}	115.4080	0.000	1	115.4080	0.000	1	116.5320	2.527	2	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>,3|C<4>}	117.6560	0.000	1	117.6560	0.000	1	116.5320	2.527	2	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	116.9080	0.000	1	116.9080	0.000	1	116.9080	0.000	1	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6]C[6,6a]C[6])(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]N[6a]O)2{2|C<4>,5|C<3>}	117.2945	0.699	2	117.2945	0.489	2	117.2945	0.489	2	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>}	115.2237	0.112	4	115.2237	0.013	4	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	115.3910	0.000	1	115.3910	0.000	1	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>}	114.2420	0.000	1	114.2420	0.000	1	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC){1|C<3>,1|C<4>}	115.3370	0.000	1	115.3370	0.000	1	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,2|C<4>}	117.1200	0.000	1	117.1200	0.000	1	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,2|C<4>}	116.4890	0.089	2	116.4890	0.008	2	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,2|C<4>}	116.1120	0.107	2	116.7577	1.256	3	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	118.0490	0.000	1	116.7577	1.256	3	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]N[6a]O)2(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]O)2(CCH){1|C<3>,2|C<4>}	116.6609	0.466	12	116.6609	0.217	12	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]N[6a]O)2(CCN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|C<4>}	116.9535	0.580	6	116.9535	0.337	6	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]N[6a]O)2(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]O)2(CCO){1|C<3>,2|C<4>}	117.2678	1.832	4	117.2678	3.357	4	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]N[6a]O)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]O)2(CC[6a]H){1|C<3>,2|C<4>}	117.1385	0.409	2	117.1385	0.168	2	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,1|C<4>}	115.4310	0.000	1	115.4310	0.000	1	116.4912	1.014	38	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]N[6a]O)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]O)2(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	117.4507	0.252	8	117.4507	0.063	8	117.4507	0.063	8	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	115.3097	0.250	3	115.3097	0.062	3	115.7574	0.409	5	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	116.3650	0.000	1	116.3650	0.000	1	115.7574	0.409	5	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	116.4930	0.000	1	116.4930	0.000	1	115.7574	0.409	5	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	112.6650	0.000	1	112.6650	0.000	1	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	115.8245	0.446	2	115.8245	0.199	2	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	112.8055	0.168	2	112.8055	0.028	2	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	115.2850	0.396	2	115.2850	0.157	2	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<4>,2|C<3>}	112.9100	0.000	1	112.9100	0.000	1	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>}	114.3360	0.000	1	114.3360	0.000	1	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	113.2770	0.000	1	113.2770	0.000	1	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,2|C<4>}	114.9310	0.000	1	114.9310	0.000	1	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,2|C<4>}	114.9965	0.267	2	115.4430	0.634	3	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	116.3360	0.000	1	115.4430	0.634	3	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCuO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCuO){1|C<3>,2|C<4>}	114.1860	0.129	2	114.1860	0.017	2	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NNiC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NNiC){1|C<3>,2|C<4>}	115.6895	0.702	2	115.6895	0.493	2	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NZnC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NZnC){1|C<3>,2|C<4>}	115.0850	0.000	1	115.0850	0.000	1	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]O)2(NCdO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]O)2(NCdO){1|C<3>,2|C<4>}	115.2130	0.000	1	115.2130	0.000	1	114.6164	1.396	20	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	113.8556	0.364	5	113.8556	0.133	5	113.8556	0.133	5	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	116.0355	0.288	2	116.0355	0.083	2	116.0355	0.083	2	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]N)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]N){1|C<4>,2|C<3>}	124.2290	0.000	1	124.2290	0.000	1	124.2804	0.507	63	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	125.0305	0.101	2	125.0305	0.010	2	124.2804	0.507	63	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	125.1780	0.792	3	124.2119	0.608	39	124.2804	0.507	63	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	124.1314	0.734	36	124.2119	0.608	39	124.2804	0.507	63	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	125.1190	0.000	1	125.1190	0.000	1	124.2804	0.507	63	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	124.8300	0.163	2	124.8300	0.026	2	124.2804	0.507	63	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	124.2406	0.575	18	124.2406	0.330	18	124.2804	0.507	63	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3: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)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	124.2610	0.045	2	124.2610	0.002	2	124.2610	0.002	2	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(NOO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(NOO){1|C<4>,2|C<3>}	123.3260	0.000	1	123.3260	0.000	1	123.3260	0.000	1	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	126.0310	0.000	1	126.0310	0.000	1	124.4877	0.617	62	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	125.6450	0.000	1	124.4624	0.587	61	124.4877	0.617	62	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	126.0740	0.000	1	124.4624	0.587	61	124.4877	0.617	62	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	124.3508	0.579	9	124.4624	0.587	61	124.4877	0.617	62	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	126.1410	0.000	1	124.4624	0.587	61	124.4877	0.617	62	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	124.8703	0.631	10	124.4624	0.587	61	124.4877	0.617	62	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	124.2689	0.705	39	124.4624	0.587	61	124.4877	0.617	62	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C-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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	125.2337	0.360	3	125.2337	0.130	3	125.2337	0.130	3	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CNO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	116.4715	0.264	2	116.4715	0.070	2	116.8270	0.877	12	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>}	117.6290	0.000	1	117.6290	0.000	1	116.8270	0.877	12	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){1|C<4>,4|C<3>}	117.2200	0.000	1	117.2200	0.000	1	116.8270	0.877	12	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>}	118.7830	0.000	1	118.7830	0.000	1	116.8270	0.877	12	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]O){1|C<4>,4|C<3>}	116.4945	0.022	2	116.4945	0.000	2	116.8270	0.877	12	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){1|C<4>,4|C<3>}	115.5270	0.000	1	115.5270	0.000	1	116.8270	0.877	12	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	117.0900	0.000	1	117.0900	0.000	1	116.8270	0.877	12	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	116.7735	1.522	2	116.7735	2.318	2	116.8270	0.877	12	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>}	116.1960	0.000	1	116.1960	0.000	1	116.8270	0.877	12	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,6|C<3>}	116.8282	0.408	4	116.8282	0.167	4	117.4682	0.658	11	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	116.9640	0.000	1	116.9640	0.000	1	117.4682	0.658	11	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	116.5370	0.000	1	116.5370	0.000	1	117.4682	0.658	11	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	118.4160	0.000	1	118.4160	0.000	1	117.4682	0.658	11	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	118.2300	0.180	4	118.2300	0.032	4	117.4682	0.658	11	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH){1|C<4>,2|C<3>}	116.4680	0.000	1	116.4680	0.000	1	117.0410	0.657	2	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(NHH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(NHH){1|C<4>,4|C<3>}	117.6140	0.000	1	117.6140	0.000	1	117.0410	0.657	2	120.8107	16.498	267	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.8475	0.220	2	123.8475	0.048	2	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3){1|C<3>,1|C<4>,1|H<1>}	122.6960	0.000	1	122.6960	0.000	1	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	121.3925	0.023	2	123.6538	0.601	46	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.9628	0.557	30	123.6538	0.601	46	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	123.2665	0.494	13	123.6538	0.601	46	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	123.9410	0.000	1	123.6538	0.601	46	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.8400	0.361	4	123.8400	0.130	4	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	124.1090	0.000	1	124.1090	0.000	1	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	124.0193	0.358	3	123.7256	0.259	5	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	123.2850	0.363	2	123.7256	0.259	5	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.1365	0.302	2	122.8748	0.123	4	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	122.6130	0.072	2	122.8748	0.123	4	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	122.8210	0.000	1	122.8210	0.000	1	123.6076	0.528	64	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.8840	0.000	1	122.8840	0.000	1	122.8840	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	116.9840	0.000	1	116.9840	0.000	1	116.9840	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	116.2040	0.000	1	116.2040	0.000	1	116.2040	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]N[6a]O)2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]O)2(CH3){1|C<3>,2|C<4>}	115.8658	0.202	6	115.8658	0.041	6	116.0476	1.065	33	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	113.9320	0.000	1	113.9320	0.000	1	116.0476	1.065	33	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.5257	0.221	3	115.5257	0.049	3	116.0476	1.065	33	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.7500	0.000	1	115.7500	0.000	1	116.0476	1.065	33	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.6185	0.799	11	115.6185	0.638	11	116.0476	1.065	33	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.7503	0.530	3	115.7503	0.280	3	116.0476	1.065	33	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	117.6110	0.450	6	117.6110	0.203	6	116.0476	1.065	33	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.5910	0.000	1	115.5910	0.000	1	116.0476	1.065	33	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|C<4>}	117.8050	0.000	1	117.8050	0.000	1	116.0476	1.065	33	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a]S)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(SiC3)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a]S)(O){1|C<3>,2|H<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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(SiC3){1|C<3>,1|H<1>,1|S<4>}	115.0660	0.000	1	115.0660	0.000	1	115.0660	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C-4:	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)	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3)	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>}	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3){1|C<4>,2|C<3>}	125.7620	0.099	2	125.7620	0.010	2	125.7620	0.010	2	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-4:	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)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(SO3)	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>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(SO3){1|C<4>,2|C<3>}	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	124.0480	0.000	1	124.0480	0.000	1	124.0480	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.6850	0.000	1	123.6850	0.000	1	123.6850	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	123.8780	0.000	1	123.8780	0.000	1	123.8595	0.001	2	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.8410	0.000	1	123.8410	0.000	1	123.8595	0.001	2	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.5380	0.000	1	123.5380	0.000	1	123.5380	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	119.1890	0.000	1	119.1890	0.000	1	117.8372	1.272	6	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	116.9820	0.000	1	116.9820	0.000	1	117.8372	1.272	6	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){1|C<4>,4|C<3>}	116.5040	0.000	1	116.5040	0.000	1	117.8372	1.272	6	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HO){1|C<4>,2|C<3>}	117.0230	0.000	1	117.0230	0.000	1	117.8372	1.272	6	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	118.6625	0.004	2	118.6625	0.000	2	117.8372	1.272	6	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]P)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(PC[6a]2O)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]P)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(PC[6a]2O){1|C<4>,2|C<3>}	116.0200	0.000	1	116.0200	0.000	1	116.0200	0.000	1	120.8811	13.588	117	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5]-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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,8|C<3>}	124.1250	0.000	1	124.1250	0.000	1	124.1250	0.000	1	121.4250	14.580	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	3:4:3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	118.7250	0.000	1	118.7250	0.000	1	118.7250	0.000	1	121.4250	14.580	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	117.6090	0.436	2	117.6090	0.190	2	117.6487	0.100	3	117.2322	0.410	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2{1|C<3>,2|C<4>}	117.7280	0.000	1	117.7280	0.000	1	117.6487	0.100	3	117.2322	0.410	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O){3|C<4>,4|C<3>}	116.3440	0.000	1	116.3440	0.000	1	116.3440	0.000	1	117.2322	0.410	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	116.8710	0.000	1	116.8710	0.000	1	116.8710	0.000	1	117.2322	0.410	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:4:3:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(O){1|O<2>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.7840	0.000	1	115.7840	0.000	1	115.7840	0.000	1	115.7840	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:4:3:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	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)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	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>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	123.0480	0.000	1	123.0480	0.000	1	123.6155	0.644	2	123.6155	0.644	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	3:4:3:	3:3:4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	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)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO)	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>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO){1|C<4>,3|C<3>}	124.1830	0.000	1	124.1830	0.000	1	123.6155	0.644	2	123.6155	0.644	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:2:	3:3:2:	N[6a]-3:C[6a]-3:O-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[6a]N[6a]C[6])(C[6a]C[6a]S)(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(SC[6a])	C[6a](N[6a]N[6a]C[6])(C[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(SC[6a]){1|C<4>,1|H<1>,1|N<2>}	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.0440	0.857	2	122.3227	0.600	3	122.3227	0.600	3	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.8800	0.000	1	122.3227	0.600	3	122.3227	0.600	3	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Br)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	121.4520	0.000	1	121.4520	0.000	1	121.4520	0.000	1	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	120.5720	0.000	1	120.5720	0.000	1	120.2366	1.054	14	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|C<4>}	118.8268	0.471	4	118.8268	0.222	4	120.2366	1.054	14	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	121.2750	0.000	1	121.0067	0.137	7	120.2366	1.054	14	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	120.8620	0.332	5	121.0067	0.137	7	120.2366	1.054	14	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	121.4620	0.000	1	121.0067	0.137	7	120.2366	1.054	14	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|C<4>,1|H<1>}	120.1930	0.000	2	120.1930	0.000	2	120.2366	1.054	14	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.5810	0.000	1	122.5810	0.000	1	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.6178	0.628	4	122.6758	0.313	5	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	122.9080	0.000	1	122.6758	0.313	5	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.1890	0.000	1	122.1910	0.000	2	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.1930	0.000	1	122.1910	0.000	2	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	121.8405	0.483	2	121.8405	0.233	2	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.1244	0.421	9	121.0992	0.464	24	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	120.7000	0.000	1	121.0992	0.464	24	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.0343	0.247	6	121.0992	0.464	24	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.3441	1.081	7	121.0992	0.464	24	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	119.9450	0.000	1	121.0992	0.464	24	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.4265	0.555	2	122.5223	0.146	30	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.9330	0.000	1	122.5223	0.146	30	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.4638	0.088	4	122.5223	0.146	30	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	121.9830	0.000	1	122.5223	0.146	30	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.4616	0.135	11	122.5223	0.146	30	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.7203	0.344	3	122.5223	0.146	30	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	122.3570	0.000	1	122.5223	0.146	30	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.8110	0.652	5	122.5223	0.146	30	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	122.1970	0.701	2	122.5223	0.146	30	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	120.8420	0.000	1	120.8420	0.000	1	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	120.8310	0.000	1	120.8310	0.000	1	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.0890	0.000	1	121.0890	0.000	1	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	121.9210	0.000	1	121.9210	0.000	1	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.8450	0.000	1	120.8450	0.000	1	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	123.1290	0.000	1	123.1870	0.007	2	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	123.2450	0.000	1	123.1870	0.007	2	121.9433	0.776	71	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	122.8390	1.211	2	122.8390	1.465	2	122.8390	1.465	2	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.7850	0.191	2	122.7850	0.036	2	121.5883	0.647	9	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	120.7370	0.000	1	121.2234	0.106	5	121.5883	0.647	9	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.3450	0.208	4	121.2234	0.106	5	121.5883	0.647	9	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.0190	0.000	1	122.0190	0.000	1	121.5883	0.647	9	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	120.5890	0.000	1	120.5890	0.000	1	121.5883	0.647	9	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(O)	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(O){1|Si<4>,1|C<3>,1|N<3>,3|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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.8060	0.000	1	114.8060	0.000	1	114.8060	0.000	1	121.6286	1.610	101	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:2:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC){1|C<3>,1|C<4>}	121.0173	0.213	6	121.0173	0.045	6	121.3969	0.560	8	121.3969	0.560	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:2:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC){1|C<3>,1|C<4>,1|H<1>}	122.5355	0.487	2	122.5355	0.237	2	121.3969	0.560	8	121.3969	0.560	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:3:	C[6a]-3:N[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-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)	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)(C[6a]N[6a]O)	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>}	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	123.5000	0.267	2	123.5000	0.071	2	123.5000	0.071	2	123.3034	0.521	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	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]-3:C-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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CClC)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CClC){1|C<3>,1|C<4>,1|H<1>}	123.0080	0.000	1	123.0080	0.000	1	122.9080	0.016	3	123.3034	0.521	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	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]-3:C-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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	122.8580	0.132	2	122.8580	0.017	2	122.9080	0.016	3	123.3034	0.521	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	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]-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)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]O)	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>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.1030	0.000	1	122.1030	0.000	1	123.5018	1.119	4	123.3034	0.521	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	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]-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)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O)	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>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	123.9680	0.612	3	123.9680	0.375	3	123.5018	1.119	4	123.3034	0.521	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.5420	1.890	3	123.3060	1.895	5	123.3060	1.895	5	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	122.9520	0.129	2	123.3060	1.895	5	123.3060	1.895	5	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	122.8830	0.000	1	122.8830	0.000	1	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	122.6825	0.052	2	122.6825	0.003	2	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	124.2040	0.000	1	124.2040	0.000	1	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.1590	0.000	1	123.0773	0.005	4	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.0150	0.000	2	123.0773	0.005	4	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.1200	0.000	1	123.0773	0.005	4	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	122.2750	0.000	1	122.2750	0.000	1	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	122.1940	0.000	1	122.1940	0.000	1	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO){1|C<3>,1|C<4>}	122.6000	0.000	1	122.6000	0.000	1	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHO)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	122.7570	0.000	1	122.7570	0.000	1	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCo2C)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCo2C){1|C<3>,1|C<4>,1|H<1>}	124.6690	0.000	1	124.6690	0.000	1	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	124.6910	0.000	1	123.3100	0.537	44	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.1190	0.306	5	123.3100	0.537	44	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.0830	0.264	2	123.3100	0.537	44	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.3050	0.322	7	123.3100	0.537	44	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	122.9335	0.541	4	123.3100	0.537	44	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.3727	0.873	25	123.3100	0.537	44	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	123.1460	0.000	1	123.1460	0.000	1	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.7190	0.000	1	123.7420	0.001	2	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.7650	0.000	1	123.7420	0.001	2	123.2587	0.513	60	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.0140	0.360	6	123.0140	0.130	6	123.0140	0.130	6	123.2414	0.555	71	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	4:3:3:	C[6a]-3:N[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3x6]-4: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)	C[6a](C[3x6]C[6,6]3)(C[6a]N[6a]H)(C[6a]N[6a]O)	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>}	C[6a](C[3x6]C[6,6]3)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,7|H<1>}	124.5820	0.000	1	124.5820	0.000	1	124.5820	0.000	1	123.8973	0.421	3	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:1:	4:3:3:	4:3:3:	C[6a]-3:N[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4: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)	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(C[6a]N[6a]O)	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>}	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	123.5550	0.373	2	123.5550	0.139	2	123.5550	0.139	2	123.8973	0.421	3	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:1:	3:3:4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|Cl<1>,1|H<1>,1|N<2>}	123.7420	0.000	1	123.7420	0.000	1	123.7420	0.000	1	123.7420	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	119.8960	0.449	3	119.8960	0.202	3	119.8960	0.202	3	121.4184	5.788	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	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>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	125.2505	0.135	2	125.2505	0.018	2	125.2505	0.018	2	121.4184	5.788	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[6a]O)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	120.0890	0.000	1	120.0890	0.000	1	120.3860	0.287	3	121.4184	5.788	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3: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)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	120.5345	0.664	2	120.5345	0.441	2	120.3860	0.287	3	121.4184	5.788	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OMn)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OMn){1|H<1>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	115.2520	0.000	1	115.2520	0.000	1	118.1320	4.572	5	118.4289	4.943	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(ONi)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(CCN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(ONi){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|H<1>}	117.4895	0.144	2	117.4895	0.021	2	118.1320	4.572	5	118.4289	4.943	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPd)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(CCN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPd){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|H<1>}	119.7270	0.000	1	119.7270	0.000	1	118.1320	4.572	5	118.4289	4.943	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPt)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(CCN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPt){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|H<1>}	120.7020	0.000	1	120.7020	0.000	1	118.1320	4.572	5	118.4289	4.943	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	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)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	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>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	118.4289	4.943	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCo)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(NCoO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCo){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]O)2(NCoO){1|C<3>,2|H<1>}	117.0210	0.000	1	117.0210	0.000	1	116.5735	0.401	2	118.4289	4.943	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCu)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]O)2(NCuO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCu){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]O)2(NCuO){1|C<3>,2|H<1>}	116.1260	0.000	1	116.1260	0.000	1	116.5735	0.401	2	118.4289	4.943	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO){1|H<1>,2|C<3>}	120.8950	0.000	1	120.8950	0.000	1	120.8950	0.000	1	118.4289	4.943	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3: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)	C[6a](C[6a]N[6a]O)2(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>}	C[6a](C[6a]N[6a]O)2(CCCH){1|C<3>,2|H<1>}	122.2570	0.148	2	122.2570	0.022	2	122.2570	0.022	2	122.0630	0.058	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	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)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CCHH)	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>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,2|H<1>}	121.8690	0.038	2	121.8690	0.001	2	121.8690	0.001	2	122.0630	0.058	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|H<1>,2|C<3>}	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]S)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]S){1|Br<1>,1|H<1>,5|C<3>}	121.6760	0.000	1	121.6760	0.000	1	121.6760	0.000	1	121.6760	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,4|C<3>}	121.7440	0.000	1	121.7440	0.000	1	121.7440	0.000	1	121.7440	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.5650	0.000	1	120.5650	0.000	1	121.7457	1.611	3	119.5923	2.693	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.5840	0.000	1	121.5840	0.000	1	121.7457	1.611	3	119.5923	2.693	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-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[6a](C[6a]N[6a]C)2(H)	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[6a](C[6a]N[6a]C)2(H){1|C<3>,2|C<4>}	123.0880	0.000	1	123.0880	0.000	1	121.7457	1.611	3	119.5923	2.693	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	118.9205	0.620	2	118.9205	0.385	2	118.9205	0.385	2	119.5923	2.693	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPd)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPd){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,2|C<4>}	117.9460	0.000	1	117.9460	0.000	1	118.2670	0.206	2	119.5923	2.693	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPt)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPt){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,2|C<4>}	118.5880	0.000	1	118.5880	0.000	1	118.2670	0.206	2	119.5923	2.693	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-1:	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)	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S)	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>}	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S){1|C<3>,1|C<4>,1|S<2>}	118.7535	0.271	2	118.7535	0.073	2	118.7703	0.038	3	119.5923	2.693	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-1:	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)	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S)	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>}	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S){1|C<3>,1|C<4>,1|S<2>}	118.8040	0.000	1	118.8040	0.000	1	118.7703	0.038	3	119.5923	2.693	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi)	N[6a](C[6a]C[6a]O)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN){1|C<2>,1|C<3>,1|C<4>}	117.9710	0.000	1	117.9710	0.000	1	117.7535	0.095	2	117.7535	0.095	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi)	N[6a](C[6a]C[6a]O)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN){1|C<2>,1|C<3>,1|C<4>}	117.5360	0.000	1	117.5360	0.000	1	117.7535	0.095	2	117.7535	0.095	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3: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)	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O)	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>}	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	114.8030	0.000	1	114.8030	0.000	1	114.8030	0.000	1	116.2402	1.060	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NZn)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NZnC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NZn){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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NZnC){1|C<3>,2|C<4>}	117.4740	0.000	1	117.4740	0.000	1	117.4740	0.000	1	116.2402	1.060	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	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)	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2	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>}	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	116.5690	0.000	1	116.5690	0.000	1	116.5690	0.000	1	116.2402	1.060	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OCd)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]O)2(NCdO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OCd){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]O)2(NCdO){1|C<3>,2|C<4>}	116.6950	0.000	1	116.6950	0.000	1	116.1775	0.536	2	116.2402	1.060	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OSr)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NSrO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OSr){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NSrO){1|C<3>,1|C<4>}	115.6600	0.000	1	115.6600	0.000	1	116.1775	0.536	2	116.2402	1.060	5	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	4:3:3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	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)	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2	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>}	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2{1|C<3>,2|C<4>}	121.0500	0.000	1	121.0500	0.000	1	121.0500	0.000	1	121.0500	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	116.7260	0.000	1	116.7260	0.000	1	116.7260	0.000	1	117.9090	1.284	3	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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:N[6a]-2:H-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[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	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[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.5005	0.685	2	118.5005	0.469	2	118.5005	0.469	2	117.9090	1.284	3	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:N[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	117.0500	0.000	1	117.0500	0.000	1	117.0500	0.000	1	117.0500	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){3|H<1>,4|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	117.2950	0.116	2	117.2950	0.013	2	117.2950	0.013	2	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<3>,4|C<3>}	121.6930	0.503	2	121.6930	0.253	2	121.6930	0.253	2	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	118.9797	0.423	4	118.9797	0.179	4	119.2908	0.316	9	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,3|C<3>}	118.6270	0.000	1	118.6270	0.000	1	119.2908	0.316	9	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	119.7678	0.289	4	119.7678	0.083	4	119.2908	0.316	9	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	119.9997	0.401	3	119.9997	0.160	3	120.8756	0.874	32	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	121.0334	0.930	27	121.0334	0.864	27	120.8756	0.874	32	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	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[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	120.0580	0.069	2	120.0580	0.005	2	120.8756	0.874	32	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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:N[6a]-3:O-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[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	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[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	117.1440	0.000	1	117.1440	0.000	1	116.8715	0.149	2	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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:N[6a]-3:O-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[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	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[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	116.5990	0.000	1	116.5990	0.000	1	116.8715	0.149	2	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|C<4>,3|O<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.9200	0.000	2	119.9200	0.000	2	119.9200	0.000	2	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	121.0120	0.000	1	121.0120	0.000	1	118.6805	2.087	6	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3: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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,2|H<1>}	118.1390	0.962	2	118.1390	0.925	2	118.6805	2.087	6	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3: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)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	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>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	117.5640	0.160	2	117.5640	0.026	2	118.6805	2.087	6	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3: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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	119.6650	0.000	1	119.6650	0.000	1	118.6805	2.087	6	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	123.9160	0.000	1	123.9160	0.000	1	123.9160	0.000	1	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H){1|N<3>,2|C<3>,4|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	122.6780	0.000	1	122.6780	0.000	1	122.6780	0.000	1	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,2|H<1>}	118.9220	0.000	1	118.9220	0.000	1	118.9220	0.000	1	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H)	C[6a](C[6a]N[5a]N[6a])2(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])2(H){1|H<1>,2|N<2>,3|C<3>}	120.1188	0.139	4	120.1188	0.019	4	120.1188	0.019	4	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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:H-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[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	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[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){1|H<1>,2|C<3>}	121.8275	0.233	2	121.8275	0.054	2	121.8275	0.054	2	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br){1|H<1>,4|C<3>}	119.7020	0.000	1	119.7020	0.000	1	119.7020	0.000	1	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-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]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	119.8690	0.000	1	119.8690	0.000	1	120.6555	1.237	2	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-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]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	121.4420	0.000	1	121.4420	0.000	1	120.6555	1.237	2	120.2200	2.243	68	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NN){2|H<1>,5|C<3>}	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	118.1213	2.710	6	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(OH)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(OH){2|H<1>,3|C<3>}	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	118.1213	2.710	6	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3: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[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	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[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>,1|N<2>}	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	118.1213	2.710	6	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>,1|H<1>}	117.6390	0.000	1	117.6390	0.000	1	117.6390	0.000	1	118.1213	2.710	6	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH){1|H<1>,4|C<3>}	119.2670	0.332	2	119.2670	0.110	2	119.2670	0.110	2	118.1213	2.710	6	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	120.5545	0.322	2	120.5545	0.104	2	120.5545	0.104	2	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NC[6a]S)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NC[6a]S){2|H<1>,5|C<3>}	118.5420	0.000	1	118.5420	0.000	1	118.5420	0.000	1	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(CHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(CHO){1|C<2>,1|H<1>,3|C<3>}	118.9210	0.000	1	118.9210	0.000	1	118.9210	0.000	1	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){4|H<1>,5|C<3>}	122.0280	0.000	1	122.0280	0.000	1	122.0280	0.000	1	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-3:	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[6a](B[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO)	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[6a](B[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO){1|H<1>,2|C<3>}	123.6670	0.000	1	123.6670	0.000	1	123.6670	0.000	1	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	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[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,4|C<3>}	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2{1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	121.1450	0.000	1	121.1450	0.000	1	121.1450	0.000	1	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NHH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NHH){1|H<1>,4|C<3>}	120.1743	0.445	3	120.1743	0.198	3	120.1743	0.198	3	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO){1|H<1>,2|C<3>}	120.6825	0.100	2	120.6825	0.010	2	120.5467	0.060	3	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO){1|H<1>,2|C<3>}	120.2750	0.000	1	120.2750	0.000	1	120.5467	0.060	3	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO){1|H<1>,2|C<3>}	123.0310	0.000	1	123.3510	0.205	2	123.3510	0.205	2	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO)	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>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO){1|H<1>,2|C<3>}	123.6710	0.000	1	123.3510	0.205	2	123.3510	0.205	2	120.7444	3.036	18	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){2|H<1>,5|C<3>}	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1	119.5470	0.501	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){5|C<3>,6|H<1>}	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	119.5470	0.501	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(PC[6a]2S)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|P<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(PC[6a]2S){2|H<1>,5|C<3>}	119.5355	0.009	2	119.5355	0.000	2	119.5355	0.000	2	119.5470	0.501	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,3|C<3>}	118.2860	0.000	1	118.2860	0.000	1	119.0125	1.056	2	119.5470	0.501	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,4|C<3>}	119.7390	0.000	1	119.7390	0.000	1	119.0125	1.056	2	119.5470	0.501	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(SC[6a]OO)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]S){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(SC[6a]OO){1|H<1>,4|C<3>}	119.3680	0.443	2	119.3680	0.196	2	119.3680	0.196	2	119.5470	0.501	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,5|C<3>}	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	118.8580	0.406	3	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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:C[6a]-3:H-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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	119.1975	0.346	2	119.1975	0.120	2	119.1975	0.120	2	118.8580	0.406	3	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	119.4963	0.459	3	119.4963	0.211	3	119.4963	0.211	3	119.6118	0.194	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){1|O<2>,3|H<1>,5|C<3>}	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	119.6118	0.194	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|N<3>,6|C<3>}	120.2800	0.154	2	120.2800	0.024	2	119.8157	0.659	3	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,6|C<3>}	118.8870	0.000	1	118.8870	0.000	1	119.8157	0.659	3	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,6|C<3>}	119.6380	0.000	1	119.6380	0.000	1	119.8860	0.123	2	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,6|C<3>}	120.1340	0.000	1	120.1340	0.000	1	119.8860	0.123	2	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	120.1420	0.000	1	120.1420	0.000	1	119.1998	0.318	5	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.8245	0.084	2	118.8245	0.007	2	119.1998	0.318	5	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){4|C<3>}	119.1040	0.279	2	119.1040	0.078	2	119.1998	0.318	5	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H){1|N<3>,5|C<3>}	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<3>,5|C<3>}	118.4120	0.000	1	118.4120	0.000	1	118.4120	0.000	1	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:H-1:	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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|H<1>,2|C<3>}	119.4160	0.000	1	119.4160	0.000	1	118.6315	1.231	2	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|H<1>,2|C<3>}	117.8470	0.000	1	117.8470	0.000	1	118.6315	1.231	2	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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,6a]-3:C[6a]-3:H-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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(C[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,6|C<3>}	119.0475	0.177	2	119.0475	0.032	2	119.0475	0.032	2	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3: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[6a](C[6a]N[6a]C)2(H)	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[6a](C[6a]N[6a]C)2(H){1|Ge<3>,2|C<3>}	118.4740	0.000	1	118.4740	0.000	1	120.6675	9.623	2	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3: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[6a](C[6a]N[6a]C)2(H)	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[6a](C[6a]N[6a]C)2(H){1|Ge<3>,2|C<3>}	122.8610	0.000	1	122.8610	0.000	1	120.6675	9.623	2	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3: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[6a](C[6a]N[6a]C)2(H)	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[6a](C[6a]N[6a]C)2(H){1|Si<3>,2|C<3>}	118.5780	0.000	1	118.5780	0.000	1	118.2520	1.410	4	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3: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[6a](C[6a]N[6a]C)2(H)	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[6a](C[6a]N[6a]C)2(H){1|Si<3>,2|C<3>}	119.3400	0.000	1	119.3400	0.000	1	118.2520	1.410	4	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3: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[6a](C[6a]N[6a]C)2(H)	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[6a](C[6a]N[6a]C)2(H){1|Si<3>,2|C<3>}	116.5600	0.000	1	116.5600	0.000	1	118.2520	1.410	4	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-3:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3: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[6a](C[6a]N[6a]C)2(H)	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[6a](C[6a]N[6a]C)2(H){1|Si<3>,2|C<3>}	118.5300	0.000	1	118.5300	0.000	1	118.2520	1.410	4	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(Br)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(Br){5|C<3>}	120.6125	0.156	2	120.6125	0.024	2	120.6125	0.024	2	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{2|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){5|C<3>}	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	119.4470	1.471	26	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-2:	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)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN)	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>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN){1|C<4>,4|C<3>}	118.4550	0.000	1	118.4550	0.000	1	118.4550	0.000	1	118.4082	0.411	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	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)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,3|C<3>}	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	118.4082	0.411	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	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)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN)	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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN){4|C<3>}	116.8140	0.000	1	116.8140	0.000	1	117.9050	2.381	2	118.4082	0.411	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	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)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(CN)	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>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(CN){1|C<2>,2|C<3>}	118.9960	0.000	1	118.9960	0.000	1	117.9050	2.381	2	118.4082	0.411	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	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)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC)	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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC){3|C<3>}	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	118.4082	0.411	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	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)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	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>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,4|C<3>}	118.4935	0.244	4	118.4935	0.059	4	118.4935	0.059	4	118.4082	0.411	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	120.8253	0.422	3	120.9412	0.173	4	120.9412	0.173	4	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	121.2890	0.000	1	120.9412	0.173	4	120.9412	0.173	4	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.0145	0.059	2	121.0145	0.003	2	121.0012	0.028	4	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.9880	0.283	2	120.9880	0.080	2	121.0012	0.028	4	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.0450	0.000	1	120.0450	0.000	1	120.0450	0.000	1	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-3:	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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){3|C<3>}	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.1250	0.055	2	120.1250	0.003	2	120.1250	0.003	2	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.2800	0.093	2	121.2800	0.009	2	121.2800	0.009	2	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	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)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]S)(C[6a]N[6a]N)	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>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|N<3>,3|C<3>}	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	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[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO)	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[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO){3|C<3>}	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	120.8940	0.848	16	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(CCHH){1|C<4>,6|C<3>}	121.6590	0.178	2	121.6590	0.032	2	121.6590	0.032	2	121.6122	1.317	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,6|C<3>}	121.0130	0.000	1	121.0130	0.000	1	121.2045	0.073	2	121.6122	1.317	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){1|H<1>,6|C<3>}	121.3960	0.000	1	121.3960	0.000	1	121.2045	0.073	2	121.6122	1.317	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	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[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(SiC3)	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[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(SiC3){3|C<3>}	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	121.6122	1.317	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[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)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){5|C<3>}	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	121.6122	1.317	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(SiC3)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|Si<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(SiC3){5|C<3>}	123.5240	0.000	1	123.5240	0.000	1	123.5240	0.000	1	121.6122	1.317	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	120.1240	0.106	2	120.1240	0.011	2	120.1240	0.011	2	121.6122	1.317	9	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	119.8350	0.034	2	119.8350	0.001	2	119.8350	0.001	2	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[6a]-3:H-1:	C[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]N[6a])(B[6a]C[6a]C)(H)	C[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(B[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	121.1305	0.186	4	121.1305	0.034	4	121.1305	0.034	4	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	118.7160	0.000	1	118.7160	0.000	1	118.7160	0.000	1	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2(CC[6a]HH){2|I<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(I){1|C<4>,1|I<1>,3|C<3>}	120.0380	0.000	1	120.0380	0.000	1	120.0380	0.000	1	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]S){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|S<4>,5|C<3>}	118.1720	0.122	2	118.1720	0.015	2	118.1720	0.015	2	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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]C[6a]H)(N[6a]C[6a]C)(CHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]C)2(H)	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[6a](C[6a]N[6a]C)2(H){1|C<3>,2|C<4>}	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:O-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[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	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[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	115.6975	0.885	2	115.6975	0.783	2	115.6975	0.783	2	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5a,6a]C)(C[6a]C[6a]2)	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a,6a]N[5a,6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]N[5a,6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	123.2180	0.000	1	123.2180	0.000	1	123.2180	0.000	1	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	119.4670	0.000	1	119.4670	0.000	1	119.3757	0.291	3	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3: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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	118.7960	0.000	1	118.7960	0.000	1	119.3757	0.291	3	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3: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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	119.8640	0.000	1	119.8640	0.000	1	119.3757	0.291	3	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,4|C<4>}	119.9820	0.365	7	119.9820	0.133	7	119.9820	0.133	7	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|C<4>,4|C<3>}	121.8340	0.000	1	121.8340	0.000	1	121.8952	0.125	5	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|C<4>,4|C<3>}	121.9790	0.000	1	121.9790	0.000	1	121.8952	0.125	5	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|C<4>,4|C<3>}	121.3180	0.000	1	121.3180	0.000	1	121.8952	0.125	5	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|C<4>,4|C<3>}	122.1725	0.060	2	122.1725	0.004	2	121.8952	0.125	5	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br)	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br){1|C<4>,4|C<3>}	121.3720	0.000	1	121.3720	0.000	1	121.3720	0.000	1	119.9294	3.732	30	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	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)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	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>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	119.3355	0.177	2	119.3355	0.032	2	119.3355	0.032	2	120.0768	0.577	14	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	120.4090	0.427	6	120.4090	0.183	6	119.9823	0.533	9	120.0768	0.577	14	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	119.1290	0.187	3	119.1290	0.035	3	119.9823	0.533	9	120.0768	0.577	14	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:2:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH){1|C<4>,4|C<3>}	120.8543	0.330	3	120.8543	0.109	3	120.8543	0.109	3	120.0768	0.577	14	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	121.8760	0.226	2	121.8760	0.051	2	121.8760	0.051	2	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO){1|C<4>,1|H<1>,5|C<3>}	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	120.9300	0.000	1	120.9300	0.000	1	121.2035	0.150	2	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	121.4770	0.000	1	121.4770	0.000	1	121.2035	0.150	2	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	120.6120	0.000	1	120.6120	0.000	1	120.6120	0.000	1	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO){1|C<4>,1|O<1>,3|C<3>}	119.9550	0.000	1	119.9550	0.000	1	119.9550	0.000	1	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	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[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C)	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[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.5250	0.000	1	121.5250	0.000	1	121.5250	0.000	1	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	122.7680	0.000	1	122.7680	0.000	1	120.1846	1.769	7	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,2|C<4>}	119.9160	0.000	1	119.9160	0.000	1	120.1846	1.769	7	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,2|C<4>}	120.3980	0.000	1	120.4675	0.010	2	120.1846	1.769	7	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	120.5370	0.000	1	120.4675	0.010	2	120.1846	1.769	7	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,2|C<4>}	119.6165	0.083	2	119.6165	0.007	2	120.1846	1.769	7	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NReH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NReH){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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,2|C<4>}	118.4400	0.000	1	118.4400	0.000	1	120.1846	1.769	7	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	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)	C[6a](C[6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)(C[6a]N[6a]O)	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>}	C[6a](C[6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	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)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO)	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>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO){1|C<2>,1|C<3>,1|C<4>}	117.5880	0.000	1	117.5880	0.000	1	118.2519	6.637	9	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,2|C<4>}	120.6955	0.235	2	120.6955	0.055	2	118.2519	6.637	9	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	121.7260	0.000	1	121.7260	0.000	1	118.2519	6.637	9	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCuC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCuO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCuC){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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCuO){1|C<3>,2|C<4>}	115.2635	0.211	2	115.2635	0.045	2	118.2519	6.637	9	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,2|C<4>}	120.2070	0.000	1	120.2070	0.000	1	118.2519	6.637	9	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NNiH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NNiC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NNiH){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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NNiC){1|C<3>,2|C<4>}	116.4140	0.324	2	116.4140	0.105	2	118.2519	6.637	9	119.7617	4.322	25	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){1|C<4>,5|C<3>,5|H<1>}	121.3010	0.000	1	121.3010	0.000	1	121.3010	0.000	1	121.3455	4.375	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:C[6a]-3:	Ge[6a]-3:C[6a]-3:Si-4:	C[6,6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6,6a]Si)(N[6a]Ge[6a]Si)(C[6a]C[6a]2)	N[6a](Ge[6a]N[6,6a]Mo)(C[6a]C[6a]2)(SiC3)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]N[6a])(SiC3)	C[6a](C[6a]C[6,6a]Si)(N[6a]Ge[6a]Si)(C[6a]C[6a]2){1|Mo<9>,1|N<3>,2|H<1>,3|C<3>}	N[6a](Ge[6a]N[6,6a]Mo)(C[6a]C[6a]2)(SiC3){1|Si<4>,4|C<3>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]N[6a])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	126.3890	0.000	1	126.3890	0.000	1	126.3890	0.000	1	121.3455	4.375	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	120.5123	0.451	6	120.5123	0.204	6	120.5123	0.204	6	121.3455	4.375	8	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	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)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	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>}	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	120.4850	0.673	2	120.4850	0.453	2	120.4850	0.453	2	120.3252	0.340	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	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>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O){3|C<4>,4|C<3>}	120.6470	0.000	1	120.6470	0.000	1	120.6470	0.000	1	120.3252	0.340	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O)	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>}	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	119.6840	0.000	1	119.6840	0.000	1	119.6840	0.000	1	120.3252	0.340	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	2:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CNO)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3){4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CNO){1|N<2>,4|C<3>}	118.2180	0.000	1	118.2180	0.000	1	118.2180	0.000	1	118.2180	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	120.5010	0.000	1	120.5010	0.000	1	120.5010	0.000	1	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CC3)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){2|H<1>,3|C<3>}	118.3940	0.000	1	118.3940	0.000	1	120.5510	1.592	6	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	121.8810	0.000	1	120.9824	0.594	5	120.5510	1.592	6	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	120.7578	0.675	4	120.9824	0.594	5	120.5510	1.592	6	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	121.6720	0.000	2	121.6720	0.000	2	121.1033	0.970	3	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){2|H<1>,3|C<3>}	119.9660	0.000	1	119.9660	0.000	1	121.1033	0.970	3	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	117.5995	0.131	2	117.5995	0.017	2	117.5995	0.017	2	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH){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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	118.8520	0.249	2	118.8520	0.062	2	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|C<2>,1|H<1>,3|C<3>}	118.9233	0.157	3	118.9233	0.025	3	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){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|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>,1|H<1>}	119.8020	0.143	2	119.8020	0.020	2	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	119.9843	0.255	4	119.9843	0.065	4	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	119.5150	0.000	1	119.5150	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH){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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	119.1920	0.000	1	119.1920	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H){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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	119.8040	0.000	1	119.8040	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|F<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]C)(H){1|H<1>,2|C<3>}	118.9070	0.134	2	118.9070	0.018	2	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|H<1>,2|C<3>}	119.5600	0.000	1	119.5600	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3){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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	123.0110	0.000	1	123.0110	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){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|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>,1|H<1>}	119.8555	0.889	2	119.4420	0.908	3	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	118.6150	0.000	1	119.4420	0.908	3	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	118.4296	0.549	22	118.4437	0.292	23	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|H<1>,2|C<3>}	118.7540	0.000	1	118.4437	0.292	23	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	119.7590	0.000	1	119.7590	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	118.2099	0.209	11	118.2099	0.044	11	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	119.7480	0.252	2	119.7480	0.063	2	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>,1|H<1>}	117.6765	0.572	2	117.6765	0.327	2	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]O[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|O<2>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	118.9560	0.000	1	118.9560	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	119.7920	0.000	1	119.7920	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	119.8120	0.000	1	119.8120	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP){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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	120.0120	0.000	1	120.0120	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS)	N[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	119.5290	0.076	2	119.5290	0.006	2	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH){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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	120.4350	0.000	1	120.4350	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CPtHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CPtHH){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[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	117.8640	0.000	1	117.8640	0.000	1	118.9160	0.859	68	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3){1|H<1>,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>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(PC[6a]2Ru)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(PC[6a]2Ru){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]P)(H){2|H<1>,3|C<3>}	119.2407	0.148	3	119.2407	0.022	3	119.2407	0.022	3	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	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:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2Pt)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2Pt){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>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,2|H<1>}	119.5690	0.000	2	119.5690	0.000	2	119.5690	0.000	2	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	120.4638	0.390	6	120.4638	0.152	6	120.4638	0.152	6	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(Cl){1|H<1>,2|C<3>}	119.1140	0.000	1	119.1140	0.000	1	119.1140	0.000	1	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	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]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){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[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){1|H<1>,2|C<3>}	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	119.2084	1.245	95	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CN){2|H<1>,3|C<3>}	118.4520	0.000	1	118.4520	0.000	1	118.4520	0.000	1	118.4520	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){2|H<1>,3|C<3>}	119.5065	0.228	2	119.5065	0.052	2	118.9752	0.549	6	119.2275	1.142	13	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|H<1>,2|C<3>}	119.8260	0.000	1	119.8260	0.000	1	118.9752	0.549	6	119.2275	1.142	13	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|C<2>,1|H<1>,3|C<3>}	118.6750	0.000	1	118.6750	0.000	1	118.9752	0.549	6	119.2275	1.142	13	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CC[6a]O){1|H<1>,3|C<3>}	118.1685	0.108	2	118.1685	0.012	2	118.9752	0.549	6	119.2275	1.142	13	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<4>,3|C<3>,3|H<1>}	118.5550	0.730	2	118.5550	0.533	2	118.5550	0.533	2	119.2275	1.142	13	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(NOO){1|C<3>,2|H<1>}	117.4120	0.000	1	117.4120	0.000	1	117.4120	0.000	1	119.2275	1.142	13	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]P)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]P){4|H<1>,5|C<3>}	120.0930	0.122	2	120.0930	0.015	2	120.0930	0.015	2	119.2275	1.142	13	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	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)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH)	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>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH){1|C<3>,2|H<1>}	120.7420	0.000	1	120.7420	0.000	1	120.7420	0.000	1	119.2275	1.142	13	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH){1|O<1>,2|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[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCO){1|H<1>,2|C<3>}	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	119.2275	1.142	13	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CC3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CC3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3){1|S<2>,2|C<3>,2|H<1>}	118.6420	0.000	1	118.6420	0.000	1	119.8070	0.874	4	119.9809	0.536	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH){1|S<2>,2|C<3>,2|H<1>}	120.0770	0.000	1	120.0770	0.000	1	119.8070	0.874	4	119.9809	0.536	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3){1|S<2>,2|C<3>,2|H<1>}	120.2545	0.889	2	120.2545	0.790	2	119.8070	0.874	4	119.9809	0.536	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3){1|C<2>,1|H<1>,3|C<3>}	119.9580	0.000	1	119.9580	0.000	1	119.8010	0.182	4	119.9809	0.536	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH){1|C<3>,1|H<1>}	119.9380	0.000	1	119.9380	0.000	1	119.8010	0.182	4	119.9809	0.536	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	119.6540	0.677	2	119.6540	0.459	2	119.8010	0.182	4	119.9809	0.536	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	N[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<2>}	121.1390	0.000	1	121.1390	0.000	1	121.1390	0.000	1	119.9809	0.536	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	N[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH){1|H<1>,2|C<3>}	120.2380	0.000	1	120.2380	0.000	1	120.2380	0.000	1	119.9809	0.536	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>}	117.6135	0.105	2	117.6135	0.011	2	117.6135	0.011	2	117.1468	0.146	15	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.0750	0.358	13	117.0750	0.128	13	117.0750	0.128	13	117.1468	0.146	15	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:2:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]C){1|N<2>,2|H<1>,5|C<3>}	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	119.4240	0.482	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:2:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){1|O<2>,3|H<1>,5|C<3>}	118.9330	0.000	1	118.9330	0.000	1	118.9330	0.000	1	119.4240	0.482	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:2:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,1|O<2>,3|C<3>}	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:2:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(PO3)	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|P<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(PO3){1|H<1>,1|O<2>,3|C<3>}	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,4|C<3>}	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){5|C<3>}	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH){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|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,4|C<3>}	119.8480	0.000	1	119.8480	0.000	1	119.8480	0.000	1	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH){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){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<4>,2|C<3>}	119.1560	0.000	1	119.1560	0.000	1	118.7559	0.499	8	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C)2(H){2|C<3>}	118.4230	0.000	1	118.4230	0.000	1	118.7559	0.499	8	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){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]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<2>,2|C<3>}	119.6760	0.000	1	119.6760	0.000	1	118.7559	0.499	8	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H){1|H<1>,2|C<3>}	119.3730	0.000	1	119.3730	0.000	1	118.7559	0.499	8	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C)2(H){2|C<3>}	118.0663	0.420	3	118.0663	0.176	3	118.7559	0.499	8	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){3|C<3>}	119.2200	0.000	1	119.2200	0.000	1	118.7559	0.499	8	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|Cl<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(Cl){1|H<1>,1|N<3>,3|C<3>}	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	119.6500	0.000	1	119.6500	0.000	1	119.1505	0.499	2	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP){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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	118.6510	0.000	1	118.6510	0.000	1	119.1505	0.499	2	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Si)(H)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Si)(H){1|H<1>,4|C<3>}	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3)	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3){1|Br<1>,4|C<3>}	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|B<3>,1|H<1>,3|C<3>}	117.6813	0.294	4	117.6813	0.086	4	117.7232	0.074	5	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3)	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3){5|C<3>}	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|B<3>,1|H<1>,3|C<3>}	117.8910	0.000	1	117.8910	0.000	1	117.7232	0.074	5	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){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){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){3|C<3>}	122.9970	0.000	1	122.9970	0.000	1	122.9970	0.000	1	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){3|C<3>}	119.2680	0.000	1	119.2680	0.000	1	119.2680	0.000	1	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<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[6a](C[6a]N[6a]C)2(H){1|Ge<3>,2|C<3>}	123.3000	0.000	1	123.3000	0.000	1	123.3000	0.000	1	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]Ir)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|N<3>,3|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[6a](C[6a]N[6a]C)2(H){1|Si<3>,2|C<3>}	121.5400	0.000	1	121.5400	0.000	1	120.8695	1.534	4	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<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[6a](C[6a]N[6a]C)2(H){1|Si<3>,2|C<3>}	119.7950	0.000	1	119.7950	0.000	1	120.8695	1.534	4	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|Ni<7>,1|N<3>,3|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[6a](C[6a]N[6a]C)2(H){1|Si<3>,2|C<3>}	122.2790	0.000	1	122.2790	0.000	1	120.8695	1.534	4	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	Si[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,1|P<2>,3|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[6a](C[6a]N[6a]C)2(H){1|Si<3>,2|C<3>}	119.8640	0.000	1	119.8640	0.000	1	120.8695	1.534	4	119.2993	2.649	27	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH){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]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|H<1>,2|C<3>}	119.2250	0.000	1	119.2250	0.000	1	118.7866	0.101	9	118.7448	0.092	11	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){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]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|H<1>,2|C<3>}	118.4890	0.249	2	118.4890	0.062	2	118.7866	0.101	9	118.7448	0.092	11	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){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]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|H<1>,2|C<3>}	118.8127	0.273	6	118.8127	0.075	6	118.7866	0.101	9	118.7448	0.092	11	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:2:	N[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|H<1>,2|C<3>}	118.4460	0.000	1	118.4460	0.000	1	118.4460	0.000	1	118.7448	0.092	11	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:2:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	118.7448	0.092	11	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO){1|H<1>,4|C<3>}	120.3050	0.000	1	120.3050	0.000	1	120.3050	0.000	1	119.9373	0.610	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH){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]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCO){3|C<3>}	119.0680	0.000	1	119.0680	0.000	1	119.9470	1.545	2	119.9373	0.610	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CNO){1|H<1>,2|C<3>}	120.8260	0.000	1	120.8260	0.000	1	119.9470	1.545	2	119.9373	0.610	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CNO)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CNO){1|H<1>,2|C<3>}	119.5500	0.000	1	119.5500	0.000	1	119.5500	0.000	1	119.9373	0.610	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH){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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,4|C<3>}	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	120.4072	1.431	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]B[6a]N)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|B<3>,1|H<1>,1|N<3>,2|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>}	C[6a](C[6a]B[6a]N)(C[6a]N[6a]C)(CH3){3|C<3>}	120.3065	0.197	2	120.3065	0.039	2	120.3065	0.039	2	120.4072	1.431	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>,1|N<3>}	119.4750	0.000	1	119.4750	0.000	1	118.9705	0.509	2	120.4072	1.431	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>,1|N<3>}	118.4660	0.000	1	118.4660	0.000	1	118.9705	0.509	2	120.4072	1.431	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3){1|B<3>,1|C<3>,1|C<4>}	119.6385	0.009	2	119.6385	0.000	2	119.6385	0.000	2	120.4072	1.431	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[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]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){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|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){3|C<3>}	121.2030	0.000	1	121.2030	0.000	1	121.6565	0.411	2	120.4072	1.431	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[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]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC3)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){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|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC3){3|C<3>}	122.1100	0.000	1	122.1100	0.000	1	121.6565	0.411	2	120.4072	1.431	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(SiC3)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3){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[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(SiC3){3|C<3>}	122.2490	0.000	1	122.2490	0.000	1	122.2490	0.000	1	120.4072	1.431	10	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:2:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){2|C<4>,3|C<3>}	120.4690	0.597	6	120.4690	0.357	6	120.4690	0.357	6	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]C)(H){2|C<3>,2|C<4>}	119.1880	0.000	1	119.1880	0.000	1	119.1880	0.000	1	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	122.6900	0.000	1	122.6900	0.000	1	120.0262	0.981	13	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|C<2>,1|C<4>,3|C<3>}	119.7655	0.330	2	119.7655	0.109	2	120.0262	0.981	13	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>,1|C<4>}	119.8828	0.317	4	119.8828	0.100	4	120.0262	0.981	13	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	119.8720	0.000	1	119.8720	0.000	1	120.0262	0.981	13	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<4>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>,1|C<4>}	118.1300	0.000	1	118.1300	0.000	1	120.0262	0.981	13	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	120.5910	0.000	1	120.5910	0.000	1	120.0262	0.981	13	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)2(CH3)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	119.9983	0.227	3	119.9983	0.051	3	120.0262	0.981	13	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]C)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	120.1191	0.733	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC)	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3){1|H<1>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC){1|B<3>,1|C<4>,1|H<1>}	120.7155	0.170	2	120.7155	0.029	2	120.7155	0.029	2	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	119.3823	0.332	3	119.3823	0.110	3	119.0697	0.378	18	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	118.6430	0.379	6	118.6430	0.143	6	119.0697	0.378	18	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	119.0520	0.000	1	119.0520	0.000	1	119.0697	0.378	18	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	118.7570	0.000	1	118.7570	0.000	1	119.0697	0.378	18	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	118.8530	0.000	1	118.8530	0.000	1	119.0697	0.378	18	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	118.2960	0.000	1	118.2960	0.000	1	119.0697	0.378	18	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	118.9785	0.013	2	118.9785	0.000	2	119.0697	0.378	18	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	N[6a](C[6a]C[6a]C)2(CH3)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	120.0625	0.274	2	120.0625	0.075	2	119.0697	0.378	18	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	N[6a](C[6a]C[6a]C)2(CH3)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	120.2100	0.000	1	120.2100	0.000	1	119.0697	0.378	18	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	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)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	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>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	118.6700	0.260	2	118.6700	0.068	2	118.6700	0.068	2	119.1830	0.571	22	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO){1|C<4>,1|H<1>,3|C<3>}	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	120.4480	0.301	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,3|H<1>,5|C<3>}	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	120.4480	0.301	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(C[3]C[3]2H)	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(C[3]C[3]2H){1|C<4>,3|C<3>,5|H<1>}	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	121.0537	0.072	6	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	121.1144	0.251	5	121.1144	0.063	5	121.1144	0.063	5	121.0537	0.072	6	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	4:3:3:	C[6a]-3:N[6a]-3:C-4:	B[6a]-3:C[6a]-3:C-4:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C[6a](C[4]C[4]N[4]Rh)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3){1|Rh<6>,1|C<4>,1|H<1>,1|N<4>,2|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[4]C[4]N[4]Rh)(C[6a]C[6a]H)(C[6a]N[6a]C){1|B<3>,1|B<4>,1|H<1>,3|C<4>}	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){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]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	118.7960	0.000	1	118.7960	0.000	1	119.7057	1.167	4	119.7057	1.167	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){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]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	118.7450	0.000	1	118.7450	0.000	1	119.7057	1.167	4	119.7057	1.167	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	4:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){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]C)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.6410	0.007	2	120.6410	0.000	2	119.7057	1.167	4	119.7057	1.167	4	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:4:	4:3:3:	3:3:2:	N[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3){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]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	118.6690	0.150	2	118.6690	0.022	2	118.6690	0.022	2	118.6690	0.022	2	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]B[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]N[6a]C[5])(B[6a]C[6a]C)(H)	C[6a](C[5]C[5]2Fe)(C[6a]B[6a]H)(N[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	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>}	C[6a](C[6a]N[6a]C[5])(B[6a]C[6a]C)(H){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	118.4784	11.947	3017	118.3068	9.116	5696
643	217	643	6:SP2_SP2_SP3	C[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,2|C<3>,3|H<1>}	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	119.9340	6.333	4
643	217	643	6:SP2_SP2_SP3	C[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	116.8140	0.000	1	116.8140	0.000	1	116.8140	0.000	1	116.8140	0.000	1	116.8140	0.000	1	119.9340	6.333	4
643	217	643	6:SP2_SP2_SP3	C[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]S)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a]S)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|S<4>,4|C<3>}	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	121.4435	4.697	2	119.9340	6.333	4
643	217	643	6:SP2_SP2_SP3	C[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C-4:	Ge[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,4|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[6a](C[6a]N[6a]C)2(H){1|Ge<3>,2|C<3>}	122.9760	0.000	1	122.9760	0.000	1	122.9760	0.000	1	122.9760	0.000	1	121.4435	4.697	2	119.9340	6.333	4