960	474	955	5:SP2_SP3_SP3	N[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	2:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:N[5]-2:H-1:H-1:	N[5]-2:N[6]-2:N[6]-2:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(N[5]P[5,6])(H)2	P[5,6](N[5]C[5])(N[6]P[6])2(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH){2|H<1>,2|P<4>}	C[5](C[5]O[5]HH)(N[5]P[5,6])(H)2{2|N<2>}	P[5,6](N[5]C[5])(N[6]P[6])2(O[5]C[5]){3|Cl<1>,1|N<2>,1|N<3>,4|H<1>}	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	111.4668	6.701	4
960	474	955	5:SP2_SP3_SP3	N[5]	C[5]	P[5]	4:4:	3:3:3:2:	3:2:4:4:	C[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:C-4:	N[5](C[5]C[6a]2C[5])(P[5]C[5]CC)	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	P[5](C[5]C[5]C)(N[5]C[5])(CCCH)2	N[5](C[5]C[6a]2C[5])(P[5]C[5]CC){6|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){2|C<4>,4|H<1>,5|C<3>}	P[5](C[5]C[5]C)(N[5]C[5])(CCCH)2{3|C<3>}	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	110.6617	6.163	3	111.4668	6.701	4
960	474	955	5:SP2_SP3_SP3	N[5]	C[5]	P[5]	4:4:	3:3:3:2:	3:3:3:2:	C[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]C[5])	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5]){10|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){4|H<1>,7|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]C[5]){4|H<1>,7|C<3>}	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	110.6617	6.163	3	111.4668	6.701	4
960	474	955	5:SP2_SP3_SP3	N[5]	C[5]	P[5]	4:4:	3:3:4:2:	3:3:4:2:	C[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5])	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5]){1|C<2>,3|H<1>,8|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5]){6|C<3>,6|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5]){1|C<2>,5|H<1>,6|C<3>}	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	110.6617	6.163	3	111.4668	6.701	4
960	474	959	5:SP2_SP3_SP3	N[5]	C[5,6]	S[5]	4:4:	3:2:4:2:	3:2:1:1:	C[5,6]-4:S[5]-4:	C[5,6a]-3:S[6]-2:C[6]-4:N[5]-2:	C[5,6a]-3:N[5]-2:O-1:O-1:	N[5](C[5,6]C[5,6a]C[6]S[6])(S[5]C[5,6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6])(O)2	N[5](C[5,6]C[5,6a]C[6]S[6])(S[5]C[5,6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6])(O)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	115.6210	0.000	1	115.6210	0.000	1	115.6210	0.000	1	115.6210	0.000	1	115.6210	0.000	1	113.5827	9.779	7
960	474	959	5:SP2_SP3_SP3	N[5]	C[5]	S[5]	4:4:	3:2:3:3:	3:2:1:1:	C[5]-4:S[5]-4:	C[5,6a]-3:N[5]-2:C-3:C-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO){1|H<1>,2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|Cl<1>,4|C<3>}	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	113.2430	10.766	6	113.5827	9.779	7
960	474	959	5:SP2_SP3_SP3	N[5]	C[5]	S[5]	4:4:	3:2:4:4:	3:2:1:1:	C[5]-4:S[5]-4:	C[5,6a]-3:N[5]-2:C-4:C-4:	C[5,6a]-3:N[5]-2:O-1:O-1:	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3){1|H<1>,2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,2|C<3>,2|C<4>}	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	113.2430	10.766	6	113.5827	9.779	7
960	474	959	5:SP2_SP3_SP3	N[5]	C[5]	S[5]	4:4:	3:3:2:4:	3:2:4:1:	C[5]-4:S[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-2:C-4:	C[5,6a]-3:N[5]-2:C-4:O-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC3)(O)	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]CO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC3)(O){1|C<4>,1|H<1>,3|C<3>}	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	113.2430	10.766	6	113.5827	9.779	7
960	474	959	5:SP2_SP3_SP3	N[5]	C[5]	S[5]	4:4:	3:3:3:2:	3:2:1:1:	C[5]-4:S[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-2:O-1:O-1:	N[5](C[5]C[5,6a]C[6a]2)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	N[5](C[5]C[5,6a]C[6a]2)(S[5]C[5,6a]OO){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]){2|O<1>,5|H<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,4|C<3>}	117.1235	2.354	2	117.1235	5.541	2	117.1235	5.541	2	117.1235	5.541	2	113.2430	10.766	6	113.5827	9.779	7
960	474	959	5:SP2_SP3_SP3	N[5]	C[5]	S[5]	4:4:	3:4:2:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5,6a]-3:C-4:N[5]-2:H-1:	C[5,6a]-3:N[5]-2:O-1:O-1:	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H){1|H<1>,2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|C<4>,2|C<3>,2|H<1>}	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	113.2430	10.766	6	113.5827	9.779	7
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5,6]-4:N[5]-2:	C[5,5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	N[5]-3:N[5]-2:	N[5](C[5,5,6]C[5,5,6]2H)(N[5]N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H)	N[5](N[5]C[5,5,6]C)(N[5]C[5,5,6])	N[5](C[5,5,6]C[5,5,6]2H)(N[5]N[5]){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	N[5](N[5]C[5,5,6]C)(N[5]C[5,5,6]){2|C<4>,2|H<1>}	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	111.0515	2.965	2	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5,6]	N[5]	4:2:	4:4:2:1:	4:2:	C[5,5,6]-4:N[5]-2:	C[3x5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	C[5,5]-4:N[5]-2:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[5,5])	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H)	N[5](C[5,5]C[3x5,6]C[5]H)(N[5]C[5,5,6])	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[5,5]){3|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H){2|C<4>,6|H<1>}	N[5](C[5,5]C[3x5,6]C[5]H)(N[5]C[5,5,6]){1|O<2>,3|C<4>,3|H<1>}	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	111.0515	2.965	2	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	3:3:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:N[5]-2:	N[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])	N[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]){1|H<1>,4|C<3>}	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	3:3:4:2:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:N[5]-2:	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]){1|C<4>,1|N<3>,3|C<3>}	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.2535	0.045	2	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	3:3:4:2:	3:2:	C[5,5]-4:N[5]-2:	C[6a]-3:C[5,5]-3:C[5]-4:N[5]-2:	C[5]-3:N[5]-2:	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	108.2535	0.045	2	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	3:4:3:2:	4:2:	C[5,5]-4:N[5]-2:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	N[5](C[5]C[5]CH)(N[5]C[5,5])	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5,5]){1|H<1>,3|C<3>}	111.9230	0.000	1	111.9795	0.006	2	111.9795	0.006	2	111.9795	0.006	2	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	3:4:3:2:	4:2:	C[5,5]-4:N[5]-2:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	N[5](C[5]C[5]CH)(N[5]C[5,5])	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5,5]){1|H<1>,3|C<3>}	112.0360	0.000	1	111.9795	0.006	2	111.9795	0.006	2	111.9795	0.006	2	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	3:4:4:2:	2:3:	C[5,5]-4:N[5]-2:	N[5]-3:C[5]-4:C[5]-4:N[5]-2:	N[5]-2:C[5]-3:	N[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)2(N[5]N[5])	N[5](N[5]C[5,5])(C[5]N[5]S)	N[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)2(N[5]N[5]){1|S<1>,2|C<3>,4|H<1>}	N[5](N[5]C[5,5])(C[5]N[5]S){1|C<3>,2|C<4>}	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H)	N[5](N[5]C[5,5]B)(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]){1|B<4>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H){1|B<4>,4|H<1>}	N[5](N[5]C[5,5]B)(N[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>}	107.9270	0.000	1	107.9270	0.000	1	108.6345	1.001	2	108.6345	1.001	2	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H)	N[5](N[5]C[5,5]C)(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H){1|C<3>,1|C<4>,1|O<1>}	N[5](N[5]C[5,5]C)(N[5]C[5,5]){2|C<3>,2|H<1>}	109.3420	0.000	1	109.3420	0.000	1	108.6345	1.001	2	108.6345	1.001	2	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:3:2:4:	4:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C[5]-4:N[5]-2:	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH)	N[5](C[5]C[5,5]HH)(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH){1|C<4>,3|H<1>}	N[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|C<3>,1|H<1>,2|C<4>}	112.6120	0.000	1	112.6120	0.000	1	112.6120	0.000	1	112.6120	0.000	1	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:3:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]N[5])	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5])	N[5](N[5]C[5,5]H)(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]N[5]){1|H<1>,1|N<2>,1|N<3>,1|S<3>,1|S<4>,2|C<3>}	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5]){2|C<3>,2|O<1>,3|H<1>}	N[5](N[5]C[5,5]H)(N[5]C[5,5]){1|S<3>,1|S<4>,2|C<3>}	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	N[5,6]-3:N[5]-2:	N[5](C[5,5]C[5,5,6]C[5]H)(N[5]N[5,6])	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H)	N[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5])	N[5](C[5,5]C[5,5,6]C[5]H)(N[5]N[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	4:2:	C[5,5]-4:N[5]-2:	C[3x5,6]-4:C[5]-4:N[5]-2:H-1:	C[5,5,6]-4:N[5]-2:	N[5](C[5,5]C[3x5,6]C[5]H)(N[5]C[5,5,6])	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[5,5])	N[5](C[5,5]C[3x5,6]C[5]H)(N[5]C[5,5,6]){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H){3|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[5,5]){3|H<1>,4|C<4>}	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.2390	0.011	4	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	4:2:	C[5,5]-4:N[5]-2:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:	N[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H)	N[5](C[5]C[5,5,6]HH)(N[5]C[5,5])	N[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H){2|C<4>,7|H<1>}	N[5](C[5]C[5,5,6]HH)(N[5]C[5,5]){1|H<1>,3|C<4>}	112.1110	0.000	1	112.1110	0.000	1	112.1110	0.000	1	112.2390	0.011	4	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	4:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H)	N[5](C[5]C[5,5]HH)(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H){1|C<4>,5|H<1>}	N[5](C[5]C[5,5]HH)(N[5]C[5,5]){2|C<4>,2|H<1>}	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	112.2390	0.011	4	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	4:2:	C[5,5]-4:N[5]-2:	C[5,6]-4:C[5,5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:	N[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5])	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H)	N[5](C[5]C[5,5]HH)(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5]HH)(N[5]C[5,5]){2|C<4>,2|H<1>}	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	112.2390	0.011	4	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:4:2:3:	4:2:	C[5,5]-4:N[5]-2:	C[5,5,6]-4:C[5]-4:N[5]-2:C-3:	C[5,6]-4:N[5]-2:	N[5](C[5,5]C[5,5,6]C[5]C)(N[5]C[5,6])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(N[5]N[5])(COO)	N[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5])	N[5](C[5,5]C[5,5,6]C[5]C)(N[5]C[5,6]){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(N[5]N[5])(COO){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5]){3|C<3>,3|C<4>,3|H<1>}	111.7305	0.471	4	111.7305	0.222	4	111.7305	0.222	4	111.9030	0.316	5	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:4:2:3:	4:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CH)(N[5]N[5])(COO)	N[5](C[5]C[5,5]HH)(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CH)(N[5]N[5])(COO){1|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|C<3>,3|C<4>}	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	111.9030	0.316	5	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:2:	4:4:3:2:	4:2:	C[5,5]-4:N[5]-2:	C[5,6]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:	N[5](C[5,5]C[5,6]C[5]2)(N[5]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5])	N[5](C[5]C[5]HH)(N[5]C[5,5])	N[5](C[5,5]C[5,6]C[5]2)(N[5]C[5]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5]){2|C<4>,5|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>}	111.3470	0.000	1	111.3470	0.000	1	111.3470	0.000	1	111.3470	0.000	1	110.9818	2.576	21	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:2:	3:3:4:2:	2:3:	C[5,6]-4:N[5]-2:	C[6,6a]-3:N[5]-3:C[6]-4:N[5]-2:	N[5]-2:C[5]-3:	N[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5])	N[5](N[5]C[5,6])(C[5]N[5]S)	N[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5]){1|C<4>,1|S<1>,3|H<1>,4|C<3>}	N[5](N[5]C[5,6])(C[5]N[5]S){1|C<4>,2|C<3>}	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	111.4735	2.642	13	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:2:	3:4:4:2:	2:3:	C[5,6]-4:N[5]-2:	N[5]-3:C[6]-4:C[6]-4:N[5]-2:	N[5]-2:C[5]-3:	N[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5])	N[5](N[5]C[5,6])(C[5]N[5]S)	N[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	N[5](N[5]C[5,6])(C[5]N[5]S){1|C<3>,2|C<4>}	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	111.4735	2.642	13	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6,6]-4:C[6]-3:N[5]-2:H-1:	N[5,6]-3:N[5]-2:	N[5](C[5,6]C[5,6,6]C[6]H)(N[5]N[5,6])	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H)	N[5](N[5,6]C[5,6,6]C[6])(N[5]C[5,6])	N[5](C[5,6]C[5,6,6]C[6]H)(N[5]N[5,6]){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	N[5](N[5,6]C[5,6,6]C[6])(N[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	109.1965	0.339	2	111.4735	2.642	13	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H)	N[5](N[5]C[5,6]C)(N[5]C[5,6])	N[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<4>}	N[5](N[5]C[5,6]C)(N[5]C[5,6]){1|C<3>,1|C<4>,2|H<1>}	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	109.1965	0.339	2	111.4735	2.642	13	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:2:	4:3:4:2:	4:2:	C[5,6]-4:N[5]-2:	C[5,5,6]-4:C[6a]-3:C[6]-4:N[5]-2:	C[5,5]-4:N[5]-2:	N[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5])	N[5](C[5,5]C[5,5,6]C[5]C)(N[5]C[5,6])	N[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5]){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5]){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,5]C[5,5,6]C[5]C)(N[5]C[5,6]){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	113.3425	0.082	4	113.3425	0.007	4	113.3425	0.007	4	113.3425	0.007	4	111.4735	2.642	13	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:2:	4:4:2:1:	4:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:N[5]-2:	N[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H)	N[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6])	N[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H){1|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]){1|O<2>,2|C<4>,4|H<1>}	110.1615	0.759	2	110.1615	0.576	2	110.1615	0.576	2	110.1615	0.576	2	111.4735	2.642	13	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:2:	4:4:2:3:	4:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:	N[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO)	N[5](C[5]C[5,6]HH)(N[5]C[5,6])	N[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO){2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(N[5]C[5,6]){1|C<3>,1|H<1>,2|C<4>}	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	111.4735	2.642	13	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:2:	4:4:3:2:	2:3:	C[5,6]-4:N[5]-2:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	N[5]-2:C[5]-3:	N[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5])	N[5](N[5]C[5,6])(C[5]C[5]H)	N[5](C[5,6]C[5]C[6]2)(N[5]C[5]){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5]){1|C<4>,5|H<1>}	N[5](N[5]C[5,6])(C[5]C[5]H){1|H<1>,2|C<4>}	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	111.0440	1.980	2	111.4735	2.642	13	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:2:	4:4:3:2:	2:3:	C[5,6]-4:N[5]-2:	C[6]-4:C[6]-4:N[5]-3:N[5]-2:	N[5]-2:C[5]-3:	N[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5])	N[5](N[5]C[5,6])(C[5]N[5]S)	N[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|S<1>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,4|H<1>}	N[5](N[5]C[5,6])(C[5]N[5]S){3|C<4>}	112.0390	0.000	1	112.0390	0.000	1	112.0390	0.000	1	111.0440	1.980	2	111.4735	2.642	13	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	2:2:4:4:	3:2:	C[5]-4:N[5]-2:	N[5]-2:S[5]-2:C-4:C-4:	C[5]-3:N[5]-2:	N[5](C[5]S[5]CC)(N[5]C[5])	C[5](N[5]N[5])(S[5]C[5])(CCHH)2	N[5](C[5]S[5]N)(N[5]C[5])	N[5](C[5]S[5]CC)(N[5]C[5]){1|N<2>}	C[5](N[5]N[5])(S[5]C[5])(CCHH)2{1|N<2>}	N[5](C[5]S[5]N)(N[5]C[5]){2|C<4>}	118.1230	0.000	1	118.1230	0.000	1	118.1230	0.000	1	118.1230	0.000	1	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	3:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:N[5]-2:	N[5](C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(H)2	N[5](C[5]C[5]CC)(N[5]C[5])	N[5](C[5]C[5]HH)(N[5]C[5]){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	3:2:4:4:	3:2:	C[5]-4:N[5]-2:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-3:N[5]-2:	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3)	N[5](C[5]N[5]S)(N[5]C[5])	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3){1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5]){1|C<3>,2|C<4>}	111.3440	0.000	1	111.3440	0.000	1	111.8932	0.112	5	111.8932	0.112	5	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	3:2:4:4:	3:2:	C[5]-4:N[5]-2:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-3:N[5]-2:	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2	N[5](C[5]N[5]S)(N[5]C[5])	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2{1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5]){1|C<3>,2|C<4>}	112.1420	0.000	1	112.1420	0.000	1	111.8932	0.112	5	111.8932	0.112	5	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	3:2:4:4:	3:2:	C[5]-4:N[5]-2:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-3:N[5]-2:	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	N[5](C[5]N[5]S)(N[5]C[5])	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5]){1|C<3>,2|C<4>}	111.9933	0.165	3	111.9933	0.027	3	111.8932	0.112	5	111.8932	0.112	5	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	3:4:2:3:	4:2:	C[5]-4:N[5]-2:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-4:N[5]-2:	N[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO)	N[5](C[5]C[5]HH)(N[5]C[5])	N[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO){2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]){1|C<4>,2|C<3>}	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:N[5]-2:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]C[5]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5]C)(N[5]N[5])(H)2	N[5](N[5]C[6a]C[5])(N[5]C[5])	N[5](C[5]C[5]HH)(N[5]N[5]){1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5]C)(N[5]N[5])(H)2{3|C<3>}	N[5](N[5]C[6a]C[5])(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5,5,6]-4:N[5]-2:H-1:H-1:	C[5,5]-4:N[5]-2:	N[5](C[5]C[5,5,6]HH)(N[5]C[5,5])	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]N[5])(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5])	N[5](C[5]C[5,5,6]HH)(N[5]C[5,5]){1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]N[5])(H)2{4|C<4>,4|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,4|C<4>}	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	112.3818	0.135	10	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:N[5]-2:	N[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]C)(N[5]N[5])(H)2	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])	N[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]N[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	112.9560	0.000	1	112.9560	0.000	1	112.5345	0.080	4	112.3818	0.135	10	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:N[5]-2:	N[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5])	N[5](C[5]C[5,5]HH)(N[5]C[5,5]){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.4360	0.000	1	112.4360	0.000	1	112.5345	0.080	4	112.3818	0.135	10	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:N[5]-2:	N[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])	N[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	112.3780	0.000	1	112.3780	0.000	1	112.5345	0.080	4	112.3818	0.135	10	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:N[5]-2:	N[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	N[5](C[5]C[5,5]HH)(N[5]C[5,5]){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.3680	0.000	1	112.3680	0.000	1	112.5345	0.080	4	112.3818	0.135	10	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5,6]-4:N[5]-2:	N[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2	N[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])	N[5](C[5]C[5,6]HH)(N[5]C[5,6]){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]){1|N<3>,2|C<4>,4|H<1>}	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	112.3818	0.135	10	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:N[5]-2:	N[5](C[5]C[5]HH)(N[5]C[5,5])	C[5](C[5]C[5,5]HH)(N[5]N[5])(H)2	N[5](C[5,5]C[5,6]C[5]2)(N[5]C[5])	N[5](C[5]C[5]HH)(N[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	N[5](C[5,5]C[5,6]C[5]2)(N[5]C[5]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	112.2770	0.000	1	112.2770	0.000	1	112.2770	0.000	1	112.3818	0.135	10	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-2:	N[5](C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(H)2	N[5](C[5]C[5]CC)(N[5]C[5])	N[5](C[5]C[5]HH)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]CC)(N[5]C[5]){4|H<1>}	112.2490	0.000	1	112.2490	0.000	1	112.4363	0.049	3	112.3818	0.135	10	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:1:1:	4:2:	C[5]-4:N[5]-2:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-2:	N[5](C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2	N[5](C[5]C[5]CH)(N[5]C[5])	N[5](C[5]C[5]HH)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,3|H<1>}	112.5300	0.214	2	112.5300	0.046	2	112.4363	0.049	3	112.3818	0.135	10	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-4:H-1:	N[5]-3:N[5]-2:	N[5](C[5]C[5]CH)(N[5]N[5])	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H)	N[5](N[5]C[6a]C[5])(N[5]C[5])	N[5](C[5]C[5]CH)(N[5]N[5]){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H){1|C<3>}	N[5](N[5]C[6a]C[5])(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:4:1:	4:2:	C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-4:H-1:	C[5,5]-4:N[5]-2:	N[5](C[5]C[5]CH)(N[5]C[5,5])	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])	N[5](C[5]C[5]CH)(N[5]C[5,5]){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H){2|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	112.5005	0.356	2	112.5005	0.127	2	112.5005	0.127	2	111.9025	0.610	4	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:4:1:	4:2:	C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:N[5]-2:	N[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H)	N[5](C[5]C[5]HH)(N[5]C[5])	N[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	111.3045	0.524	2	111.3045	0.275	2	111.3045	0.275	2	111.9025	0.610	4	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:4:3:	4:2:	C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:N[5]-2:	N[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO)	N[5](C[5]C[5]HH)(N[5]C[5])	N[5](C[5]C[5]CC)(N[5]C[5]){4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO){2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	112.0961	2.296	27	111.5630	2.602	63
960	474	960	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:2:	4:2:4:4:	3:2:	C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-4:C-4:	N[5]-3:N[5]-2:	N[5](C[5]C[5]CC)(N[5]N[5])	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5])	N[5](C[5]C[5]CC)(N[5]N[5]){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3){1|C<3>}	N[5](N[5]C[6a]C[5])(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	110.2765	1.237	2	110.2765	1.530	2	110.2765	1.530	2	110.2765	1.530	2	112.0961	2.296	27	111.5630	2.602	63
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:3:2:1:	2:2:4:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[4]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:C-4:	N[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]C)	C[4,5](C[4,5]N[4]S[5]H)(C[4]N[4]O)(N[5]C[5])(H)	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH)	N[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]C){1|H<1>,1|N<3>,1|O<1>}	C[4,5](C[4,5]N[4]S[5]H)(C[4]N[4]O)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:2:1:	2:3:2:	C[4,5]-4:C[5]-3:	C[4,5,5]-4:C[4]-4:N[5]-2:H-1:	O[5]-2:C[6a]-3:N[5]-2:	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[6a]O[5])	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]CC)(N[5]C[5])(H)	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5])	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[6a]O[5]){2|C<3>,4|C<4>}	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]CC)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	107.0070	0.000	1	107.0070	0.000	1	107.0070	0.000	1	107.0070	0.000	1	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:2:1:	3:2:2:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[4,5]-4:N[5]-2:H-1:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]O[5])	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[6a]O[4]O[5])(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]O[5]){1|O<2>,5|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[6a]O[4]O[5])(N[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	105.8365	0.175	2	105.8365	0.031	2	105.8365	0.031	2	107.4595	9.492	4	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:2:1:	3:2:2:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[4,5]-4:N[5]-2:H-1:	C[6a]-3:N[5]-2:S[5]-2:	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]S[5])	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]O[4]S[5]H)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(S[5]C[4,5])	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]S[5]){1|H<1>,1|O<2>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]O[4]S[5]H)(N[5]C[5])(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(S[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.0750	0.000	1	112.0750	0.000	1	112.0750	0.000	1	107.4595	9.492	4	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:2:1:	3:2:2:	C[4,5]-4:C[5]-3:	C[4,6]-4:C[4,5]-4:N[5]-2:H-1:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[6a]O[5])	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]C[6a]O[4]O[5])(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	N[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[6a]O[5]){1|O<2>,5|C<3>}	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]C[6a]O[4]O[5])(N[5]C[5])(H){1|O<1>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	107.4595	9.492	4	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:2:4:	2:2:4:	C[4,5]-4:C[5]-3:	C[4,6]-4:C[4,5]-4:N[5]-2:C-4:	N[5]-2:O[5]-2:C-4:	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C)	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(N[5]C[5])(CCCH)	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C){2|C<3>,2|O<2>}	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(N[5]C[5])(CCCH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){2|C<4>,2|O<2>}	106.9560	0.000	1	106.9560	0.000	1	106.8190	0.015	3	106.8190	0.015	3	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:2:4:	2:2:4:	C[4,5]-4:C[5]-3:	C[4,6]-4:C[4,5]-4:N[5]-2:C-4:	N[5]-2:O[5]-2:C-4:	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C)	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(N[5]C[5])(CCHH)	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C){2|C<3>,2|O<2>}	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){2|C<4>,2|O<2>}	106.7190	0.000	1	106.7190	0.000	1	106.8190	0.015	3	106.8190	0.015	3	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:2:4:	2:2:4:	C[4,5]-4:C[5]-3:	C[4,6]-4:C[4,5]-4:N[5]-2:C-4:	N[5]-2:O[5]-2:C-4:	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C)	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(N[5]C[5])(CH3)	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C){2|C<3>,2|O<2>}	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(N[5]C[5])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){2|C<4>,2|O<2>}	106.7820	0.000	1	106.7820	0.000	1	106.8190	0.015	3	106.8190	0.015	3	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:2:4:	4:3:2:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[4]-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N[5]-2:	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[6a]C[5])	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(N[5]C[5])(CF3)	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5])	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[6a]C[5]){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(N[5]C[5])(CF3){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	110.3575	0.231	2	110.3575	0.053	2	110.3575	0.053	2	110.3575	0.053	2	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:3:2:	2:2:4:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:N[5]-2:	N[5]-2:O[5]-2:C-4:	N[5](C[4,5]C[4,5]2C[6a])(C[5]O[5]C)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]O[4]O[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	N[5](C[4,5]C[4,5]2C[6a])(C[5]O[5]C){1|H<1>,1|O<2>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]O[4]O[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:3:2:	3:2:2:	C[4,5]-4:C[5]-3:	C[4]-4:C[4]-4:C[5]-3:N[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5])	C[4,5](C[4]C[4,5]C[6a]H)2(C[5]O[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5])	N[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[4,5](C[4]C[4,5]C[6a]H)2(C[5]O[5]O)(N[5]C[5]){1|N<2>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	106.7482	0.194	6	106.7482	0.038	6	106.7456	0.031	7	106.7456	0.031	7	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:3:2:	3:2:2:	C[4,5]-4:C[5]-3:	C[4]-4:C[4]-4:C[5]-3:N[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5])	C[4,5](C[4]C[6a]C[4]H)(C[4]C[4]CN)(C[5]O[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5])	N[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[4,5](C[4]C[6a]C[4]H)(C[4]C[4]CN)(C[5]O[5]O)(N[5]C[5]){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	106.7300	0.000	1	106.7300	0.000	1	106.7456	0.031	7	106.7456	0.031	7	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:4:2:	2:2:4:	C[4,5]-4:C[5]-3:	C[4,6]-4:C[4,5]-4:C-4:N[5]-2:	N[5]-2:O[5]-2:C-4:	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C)	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C){2|C<3>,2|O<2>}	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){2|C<4>,2|O<2>}	106.9670	0.000	1	106.9670	0.000	1	106.9670	0.000	1	106.9670	0.000	1	107.4985	3.884	21	107.4985	3.884	21
960	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:	4:4:4:2:	3:2:2:	C[4,5]-4:C[5]-3:	C[4,6]-4:C[4,5]-4:C-4:N[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]C[6a]O[5])	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(CC[6a]HH)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]C[6a]O[5]){2|O<2>,4|C<3>}	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]O[4]O[5]O)(CC[6a]HH)(N[5]C[5]){1|N<3>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	107.4985	3.884	21	107.4985	3.884	21
960	478	960	5:SP2_SP2_SP3	N[5]	C[4,5]	N[5]	4:2:	3:4:4:2:	3:2:	C[4,5]-4:N[5]-2:	Ge[4,5]-3:P[4]-4:P-4:N[5]-2:	N[5]-3:N[5]-2:	N[5](C[4,5]Ge[4,5]P[4]P)(N[5]N[5])	C[4,5](Ge[4,5]N[4]N[5])(P[4]C[6a]2N[4])(PC[6a]2N)(N[5]N[5])	N[5](N[5]Ge[4,5]Si)(N[5]C[4,5])	N[5](C[4,5]Ge[4,5]P[4]P)(N[5]N[5]){1|Si<4>,1|N<3>,2|C<3>}	C[4,5](Ge[4,5]N[4]N[5])(P[4]C[6a]2N[4])(PC[6a]2N)(N[5]N[5]){2|Si<4>,4|C<3>}	N[5](N[5]Ge[4,5]Si)(N[5]C[4,5]){1|N<3>,2|P<4>}	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1
960	486	818	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:3:	4:4:3:2:	3:2:3:	C[3,5]-4:C[5]-3:	C[3]-4:C[3]-4:C[5]-3:N[5]-2:	C[6a]-3:N[5]-2:N[5]-3:	N[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5])	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C)	N[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1
960	542	542	5:SP2_SP2_SP2	N[5]	N[5,6]	N[5]	3:3:	4:3:2:	3:2:1:	N[5,6]-3:N[5]-3:	C[5,6]-4:C[5,6]-3:N[5]-2:	C[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]2)(N[5]C[5]H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(N[5]N[5])	N[5](C[5]C[5,6]H)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]2)(N[5]C[5]H){2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(N[5]N[5]){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	N[5](C[5]C[5,6]H)(N[5]N[5,6])(H){2|C<4>}	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5,6]	3:3:	3:3:2:	3:4:2:	N[5,6]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5,6]-3:C[6]-4:N[5]-2:	N[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6])	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5])	N[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]){1|C<3>,1|C<4>,5|H<1>}	103.2380	0.089	2	103.2380	0.008	2	103.2380	0.008	2	103.2380	0.008	2	103.2380	0.008	2	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	2:2:2:	3:2:2:	N[5]-3:N[5]-3:	C[5]-2:N[5]-2:N-2:	C[5]-3:N[5]-2:N-2:	N[5](N[5]C[5]N)2	N[5](C[5]C[5])(N[5]N[5])(NN)	N[5](C[5]C[5]H)(N[5]N[5])(NN)	N[5](N[5]C[5]N)2{1|H<1>}	N[5](C[5]C[5])(N[5]N[5])(NN){1|H<1>,1|N<2>}	N[5](C[5]C[5]H)(N[5]N[5])(NN){1|N<2>}	102.8440	0.000	1	102.8440	0.000	1	102.8440	0.000	1	102.8440	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	2:2:3:	3:2:1:	N[5]-3:N[5]-3:	N[5]-2:N[5]-2:N-3:	C[5]-3:N[5]-2:H-1:	N[5](N[5]C[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH)	N[5](C[5]N[5]H)(N[5]N[5])(H)	N[5](N[5]C[5]H)(N[5]N[5]N){1|H<1>}	N[5](N[5]C[5])(N[5]N[5])(NHH){2|H<1>}	N[5](C[5]N[5]H)(N[5]N[5])(H){1|N<3>}	101.3280	0.000	1	101.3280	0.000	1	101.3280	0.000	1	101.3280	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	2:2:4:	3:2:1:	N[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-2:H-1:	N[5](N[5]C[5]H)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]N)(N[5]N[5])(H)	N[5](N[5]C[5]H)(N[5]N[5]C){1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]N[5])(H){1|C<4>}	101.8600	0.000	1	101.8600	0.000	1	101.8600	0.000	1	101.8600	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	2:2:4:	3:2:4:	N[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]Cr)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)(N[5]N[5]C){1|Cr<6>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Cr<6>,1|C<4>}	N[5](C[5]N[5]Cr)(N[5]N[5])(CH3){1|C<4>}	102.0240	0.000	1	102.0240	0.000	1	102.2966	0.190	5	102.2966	0.190	5	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	2:2:4:	3:2:4:	N[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)(N[5]N[5]C){1|Ir<4>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>}	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3){1|C<4>}	101.8490	0.000	1	102.1155	0.142	2	102.2966	0.190	5	102.2966	0.190	5	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	2:2:4:	3:2:4:	N[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)(N[5]N[5]C){1|Ir<6>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3){1|C<4>}	102.3820	0.000	1	102.1155	0.142	2	102.2966	0.190	5	102.2966	0.190	5	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	2:2:4:	3:2:4:	N[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]Mo)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)(N[5]N[5]C){1|Mo<9>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Mo<9>,1|C<4>}	N[5](C[5]N[5]Mo)(N[5]N[5])(CH3){1|C<4>}	102.2410	0.000	1	102.2410	0.000	1	102.2966	0.190	5	102.2966	0.190	5	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	2:2:4:	3:2:4:	N[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)(N[5]N[5]C){1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<4>,1|N<3>}	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|C<4>}	102.9870	0.000	1	102.9870	0.000	1	102.2966	0.190	5	102.2966	0.190	5	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:1:	3:2:1:	N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:N[5]-2:H-1:	N[5](N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	N[5](N[5]C[5,6a]H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){2|C<3>,2|H<1>}	105.4367	0.807	18	105.4367	0.650	18	105.4367	0.650	18	105.4367	0.650	18	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:1:	3:2:2:	N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:N[5]-2:O-2:	N[5](N[5]C[5,6a]H)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(OFe)	N[5](N[5]C[5,6a]H)(N[5]C[5,6a]O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(OFe){2|C<3>,2|H<1>}	105.0150	0.000	1	105.0150	0.000	1	105.0150	0.000	1	105.0150	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:1:	3:2:3:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:N-3:	N[5](N[5]C[5]H)(N[5]C[5]N)	N[5](C[5]C[5]H)(N[5]N[5])(H)	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	N[5](N[5]C[5]H)(N[5]C[5]N){2|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(NHH){2|H<1>}	103.3520	0.000	1	103.3520	0.000	1	103.3520	0.000	1	103.3520	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:1:	3:2:4:	N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:N[5]-2:C-4:	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){2|C<3>,2|H<1>}	105.5080	0.000	1	105.5080	0.000	1	105.5080	0.000	1	104.4578	0.803	5	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:1:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(N[5]N[5])(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)(N[5]C[5]H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	104.1953	0.782	4	104.1953	0.611	4	104.1953	0.611	4	104.4578	0.803	5	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:2:	3:2:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:N-2:	C[5]-3:N[5]-2:N-2:	N[5](N[5]C[5]N)2	N[5](C[5]C[5]H)(N[5]N[5])(NN)	N[5](C[5]C[5]H)(N[5]N[5])(NN)	N[5](N[5]C[5]N)2{2|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(NN){1|H<1>,1|N<2>}	N[5](C[5]C[5]H)(N[5]N[5])(NN){1|H<1>,1|N<2>}	103.0220	0.576	4	103.0220	0.331	4	103.0220	0.331	4	103.0220	0.331	4	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-2:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<2>,1|C<3>,1|N<3>}	102.5750	0.008	2	102.5750	0.000	2	102.5750	0.000	2	102.5750	0.000	2	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-2:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|Br<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]){2|C<4>,3|C<3>}	102.2910	0.000	1	102.2910	0.000	1	102.2910	0.000	1	102.2910	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:3:	3:2:1:	N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:N[5]-2:O-1:	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|H<1>,3|C<3>}	105.3158	0.094	4	105.3158	0.009	4	105.1998	0.074	5	105.1998	0.074	5	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:3:	3:2:1:	N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:N[5]-2:O-1:	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|H<1>,3|C<3>}	104.7360	0.000	1	104.7360	0.000	1	105.1998	0.074	5	105.1998	0.074	5	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:3:	3:2:3:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:N-3:	N[5](N[5]C[5]N)2	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	N[5](N[5]C[5]N)2{2|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(NHH){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(NHH){1|H<1>,1|N<3>}	102.9290	0.000	1	102.9290	0.000	1	102.9290	0.000	1	102.9290	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	2:2:1:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-2:N[5]-2:O-1:	N[5](N[5]C[5]C)(N[5]N[5]O)	N[5](C[5]N[5]C)(N[5]N[5])(CCHH)	N[5](N[5]C[5])(N[5]N[5])(O)	N[5](N[5]C[5]C)(N[5]N[5]O){1|C<4>}	N[5](C[5]N[5]C)(N[5]N[5])(CCHH){1|O<1>}	N[5](N[5]C[5])(N[5]N[5])(O){2|C<4>}	102.9410	0.000	1	102.9410	0.000	1	102.9410	0.000	1	102.9410	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	2:2:3:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-2:N[5]-2:N-3:	N[5](N[5]C[5]C)(N[5]N[5]N)	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[5])(N[5]N[5])(NHH)	N[5](N[5]C[5]C)(N[5]N[5]N){1|C<4>}	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(NHH){2|C<4>}	102.2440	0.000	1	102.2440	0.000	1	102.2440	0.000	1	102.2440	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:1:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:H-1:	N[5](N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(H)	N[5](N[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.4120	0.000	1	103.4120	0.000	1	103.4120	0.000	1	103.4120	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(N[5]N[5])(CC)	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<2>,2|C<3>}	N[5](C[5]C[5]Pd)(N[5]N[5])(CC){1|C<3>,1|C<4>}	103.6760	0.000	1	103.6760	0.000	1	103.4350	0.116	2	103.4350	0.116	2	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(N[5]N[5])(CC[6a])	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<2>,2|C<3>}	N[5](C[5]C[5]Pd)(N[5]N[5])(CC[6a]){1|C<3>,1|C<4>}	103.1940	0.000	1	103.1940	0.000	1	103.4350	0.116	2	103.4350	0.116	2	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:3:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-3:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(N[5]N[5])(CHH)	N[5](N[5]C[5]C)2{1|Pd<5>,1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<5>,1|C<3>}	N[5](C[5]C[5]Pd)(N[5]N[5])(CHH){2|C<4>}	102.9160	0.000	1	102.9160	0.000	1	102.9160	0.000	1	103.2892	0.116	6	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:3:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:N-3:	N[5](N[5]C[5]C)(N[5]C[5]N)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	N[5](N[5]C[5]C)(N[5]C[5]N){2|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(NHH){1|C<4>,1|H<1>}	103.3638	0.322	5	103.3638	0.104	5	103.3638	0.104	5	103.2892	0.116	6	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-2:B-4:	C[5,6a]-3:N[5]-2:C-4:	N[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(BH3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	N[5](N[5]C[5,6a]B)(N[5]C[5,6a]C){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(BH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|B<4>,1|H<1>,2|C<3>}	107.3800	0.000	1	107.3800	0.000	1	107.3800	0.000	1	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:N[5]-2:C-4:	N[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	N[5](N[5]C[5,6a]C)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	105.4450	0.000	1	105.4450	0.000	1	105.1775	2.318	6	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:N[5]-2:C-4:	N[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	N[5](N[5]C[5,6a]C)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	105.9670	0.000	1	105.9670	0.000	1	105.1775	2.318	6	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:N[5]-2:C-4:	N[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	N[5](N[5]C[5,6a]C)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	104.9133	1.881	4	104.9133	3.538	4	105.1775	2.318	6	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	104.1960	0.000	1	104.1960	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	104.7612	0.614	5	104.7612	0.377	5	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[5]C[5]Mn)(N[5]N[5])(CCCH)	N[5](N[5]C[5]C)2{1|Mn<5>,1|C<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Mn)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	103.3065	0.286	2	103.3065	0.082	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[5]C[5]Mn)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Mn<5>,1|C<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Mn)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.3550	0.000	1	103.3550	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	103.7480	0.410	3	103.7480	0.168	3	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	104.6107	0.093	4	104.4535	0.087	6	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){2|C<4>}	104.1390	0.334	2	104.4535	0.087	6	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ir<8>,1|C<4>}	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){2|C<4>}	103.3503	0.201	10	103.3503	0.040	10	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){2|C<4>}	103.1640	0.813	2	103.1640	0.661	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(N[5]N[5])(CHHP)	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Pd)(N[5]N[5])(CHHP){2|C<4>}	101.8210	0.000	1	101.8210	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<2>}	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.7310	0.227	3	103.7310	0.051	3	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ir)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Ir)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	104.5445	0.238	2	104.5445	0.057	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Ni<7>,1|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	104.1380	0.000	1	104.1380	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ru)(N[5]N[5])(CCCH)	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Ru)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	104.4110	0.000	1	104.4110	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ru)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Ru)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.7470	0.000	1	103.7470	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|Ru<6>,1|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	104.5170	0.000	1	104.3700	0.043	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	104.2230	0.000	1	104.3700	0.043	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	102.9420	0.000	1	102.9420	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	103.1688	1.733	6	103.1688	3.004	6	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	103.8500	0.000	2	103.8500	0.000	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.5418	0.865	6	103.5418	0.749	6	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	104.1990	0.139	2	104.1990	0.019	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]I)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|C<3>,1|I<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|I<1>,2|C<3>}	N[5](C[5]C[5]I)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	104.5337	1.146	3	104.5337	1.313	3	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Ir<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.2040	0.000	1	103.1765	0.002	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Ir<6>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.1490	0.000	1	103.1765	0.002	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ir)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Ir)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	103.4830	0.000	1	103.4830	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Ni<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.1780	0.000	1	103.2143	0.045	3	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Ni<7>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.2325	0.296	2	103.2143	0.045	3	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.5024	0.539	10	103.5024	0.291	10	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Pd)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	103.4760	0.000	1	103.4760	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Pt)(N[5]N[5])(CCHH)	N[5](N[5]C[5]C)2{1|Pt<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Pt)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	103.4580	0.000	1	103.4580	0.000	1	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH)	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH){1|C<3>,1|C<4>}	102.8665	0.701	2	102.8665	0.491	2	103.6911	0.681	81	103.8344	1.048	88	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:3:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,4|C<4>}	103.6530	0.228	2	103.6530	0.052	2	103.6565	0.020	4	103.6565	0.020	4	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:3:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,4|C<4>}	103.7190	0.000	1	103.7190	0.000	1	103.6565	0.020	4	103.6565	0.020	4	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:3:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]Re)(N[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Re<6>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Re<6>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Re)(N[5]N[5]){3|C<3>,3|C<4>}	103.6010	0.000	1	103.6010	0.000	1	103.6565	0.020	4	103.6565	0.020	4	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[5]C[5]Cu)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Cu<2>,1|C<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Cu<2>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Cu)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	103.4600	0.027	2	103.4600	0.001	2	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,3|C<4>}	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5]){2|C<4>}	103.2320	0.000	1	103.2320	0.000	1	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[5]C[5]Rh)(CC[6a]CH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Rh<6>,1|C<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Rh)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	103.5160	0.000	1	103.5160	0.000	1	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){2|C<4>}	103.8860	0.415	6	103.8860	0.172	6	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH)	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH){1|Pd<4>,1|O<2>,3|C<4>}	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5]){2|C<4>}	104.0365	0.450	2	104.0365	0.203	2	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ir)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Ir)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	104.3070	0.000	1	104.3070	0.000	1	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	104.1810	0.071	2	103.3790	0.862	4	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|O<2>,3|C<4>}	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5]){2|C<4>}	102.5770	0.091	2	103.3790	0.862	4	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH)	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|B<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH){1|B<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	103.0600	0.000	1	103.0600	0.000	1	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|B<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	103.1530	0.000	1	103.1530	0.000	1	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|B<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	103.0600	0.000	1	103.0600	0.000	1	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	104.2860	0.000	1	104.2860	0.000	1	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|C<3>,1|I<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|I<1>,2|C<3>}	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	104.0347	0.596	3	104.0347	0.355	3	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|C<3>,1|I<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|I<1>,2|C<3>}	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	104.0965	0.021	2	104.0965	0.000	2	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Os)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Os<9>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Os<9>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Os)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	103.1180	0.000	1	103.1180	0.000	1	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	103.0732	0.369	9	103.0732	0.136	9	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Ru<5>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<5>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	102.7960	0.440	2	103.0653	0.237	9	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	103.1423	0.503	7	103.0653	0.237	9	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Se<1>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	103.4850	0.000	1	103.5015	0.001	2	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5]C)2{1|Se<2>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	103.5180	0.000	1	103.5015	0.001	2	103.4490	0.341	47	103.4490	0.341	47	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	4:3:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-4:C[5]-3:N[5]-2:	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5])	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|H<1>,3|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|H<1>,3|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5]){2|H<1>,4|C<4>}	103.7300	0.000	1	103.7300	0.000	1	102.7715	0.539	4	102.7715	0.539	4	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:2:4:	4:3:2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-4:C[5]-3:N[5]-2:	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](C[5]C[5]2Fe)(C[5]C[5]Pd)(N[5]N[5])	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|Pd<4>,3|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,3|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]Pd)(N[5]N[5]){1|H<1>,5|C<4>}	102.4520	0.442	3	102.4520	0.195	3	102.7715	0.539	4	102.7715	0.539	4	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	2:2:1:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-2:N[5]-2:O-1:	N[5](N[5]C[6a]C[5])(N[5]N[5]O)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]N[5])	N[5](N[5]C[5])(N[5]N[5])(O)	N[5](N[5]C[6a]C[5])(N[5]N[5]O){1|Cl<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[5])(N[5]N[5])(O){1|Cl<1>,1|C<3>}	102.4560	0.000	1	102.4560	0.000	1	102.4560	0.000	1	102.4560	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	2:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-2:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]N[5]C){1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<3>,1|S<2>}	102.9790	0.000	1	102.9790	0.000	1	102.9790	0.000	1	102.9790	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5]H)(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(N[5]C[5]H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|C<3>,4|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(H){2|C<3>}	103.6250	0.000	1	103.6250	0.000	1	103.6250	0.000	1	103.6250	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-2:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){3|C<3>,3|C<4>}	101.8340	0.000	1	101.8340	0.000	1	101.8340	0.000	1	101.8340	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C[6])(N[5]C[5]C)	N[5](C[5]C[5]H)(C[6]C[6]2)(N[5]N[5])	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](N[5]C[5]C[6])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[5]H)(C[6]C[6]2)(N[5]N[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	103.4520	0.000	1	103.4520	0.000	1	103.4520	0.000	1	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5]Cu)(N[5]N[5])(CN[5]HH)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Cu<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cu<2>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5]Cu)(N[5]N[5])(CN[5]HH){2|C<3>}	102.6202	0.056	4	102.6202	0.003	4	102.6202	0.003	4	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C[6])(N[5]C[5]C)	N[5](C[6]C[6]N[6])(C[5]C[5]Ru)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[5]C[6])(N[5]C[5]C){1|Ru<9>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	102.6390	0.000	1	102.6390	0.000	1	102.1123	0.510	4	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C[6])(N[5]C[5]C)	N[5](C[6]C[6]N[6])(C[5]C[5]Ru)(N[5]N[5])	N[5](C[5]C[5]O)(N[5]N[5])(CH3)	N[5](N[5]C[5]C[6])(N[5]C[5]C){1|Ru<9>,1|C<3>,1|N<3>,1|O<2>}	N[5](C[6]C[6]N[6])(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5]O)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	102.1505	0.941	2	102.1505	0.886	2	102.1123	0.510	4	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C[6])(N[5]C[5]C)	N[5](C[6]C[6]N[6])(C[5]C[5]Ru)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[5]C[6])(N[5]C[5]C){1|Ru<9>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	101.5090	0.000	1	101.5090	0.000	1	102.1123	0.510	4	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<2>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<2>,1|C<3>}	104.2860	0.000	1	104.2860	0.000	1	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Cu<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,3|C<3>}	102.4998	0.359	4	102.4998	0.129	4	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	104.1690	0.000	1	104.1690	0.000	1	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CCHH)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	102.0780	0.000	1	102.0780	0.000	1	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	103.3490	0.000	1	103.0876	0.399	8	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,4|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	103.9550	0.069	2	103.0876	0.399	8	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	102.5237	0.205	3	103.0876	0.399	8	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	102.9355	0.361	2	103.0876	0.399	8	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	103.5520	0.000	1	103.5520	0.000	1	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	103.3630	0.000	1	103.5570	0.075	2	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	103.7510	0.000	1	103.5570	0.075	2	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<3>,3|C<4>}	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	102.8460	0.151	2	102.8460	0.023	2	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	103.3970	0.000	1	103.7273	0.229	3	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	103.8925	0.542	2	103.7273	0.229	3	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|I<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|I<1>,3|C<3>}	103.8210	0.057	2	103.8210	0.003	2	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ir<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	104.0060	0.796	2	104.0060	0.634	2	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ir<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	102.9550	0.116	2	103.3783	0.245	4	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ir<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	103.8015	0.073	2	103.3783	0.245	4	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Mn)(N[5]N[5])	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Mn<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Mn)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|N<3>,2|C<3>}	103.2850	0.000	1	103.2850	0.000	1	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Mo)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Mo<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Mo)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Mo<5>,3|C<3>}	103.4230	0.000	1	103.4230	0.000	1	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ni<4>,1|C<3>}	102.3757	0.301	3	102.4797	0.104	4	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ni<7>,1|C<3>}	102.7920	0.000	1	102.4797	0.104	4	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,3|C<3>}	102.7397	0.295	3	102.7608	0.060	4	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,3|C<3>}	102.8240	0.000	1	102.7608	0.060	4	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<2>,2|C<3>,3|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	102.5390	0.000	1	102.5939	0.621	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	101.4600	0.503	2	102.5939	0.621	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	102.6090	0.197	3	102.5939	0.621	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,4|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	103.1820	0.392	2	102.5939	0.621	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,4|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<5>,1|C<3>}	103.6950	0.000	1	102.5939	0.621	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|N<3>,2|C<3>}	104.1668	0.452	4	104.1668	0.204	4	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,3|C<3>}	102.1946	0.411	5	102.5956	0.616	7	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,3|C<3>}	103.5980	0.457	2	102.5956	0.616	7	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>}	101.8185	0.595	2	102.4730	0.401	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>}	102.5030	0.082	2	102.4730	0.401	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){2|C<3>,4|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<7>,1|C<3>}	103.5600	0.000	1	102.4730	0.401	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<8>,1|C<3>}	102.0805	0.180	2	102.4730	0.401	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<8>,1|C<3>}	102.9465	0.136	2	102.4730	0.401	9	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<6>,3|C<3>}	103.3650	0.000	1	103.0813	0.386	3	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<6>,3|C<3>}	103.5100	0.000	1	103.0813	0.386	3	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<8>,3|C<3>}	102.3690	0.000	1	103.0813	0.386	3	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	103.9345	0.578	2	103.9345	0.334	2	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	103.6650	0.000	1	103.6650	0.000	1	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	104.0960	0.000	1	104.0960	0.000	1	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<6>,3|C<3>}	102.2460	0.000	1	102.7147	0.422	6	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	102.3585	0.095	2	102.7147	0.422	6	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	103.1083	0.763	3	102.7147	0.422	6	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<1>,3|C<3>}	103.4360	0.000	1	103.1220	0.330	3	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<2>,3|C<3>}	102.9650	0.716	2	103.1220	0.330	3	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,3|C<3>}	103.2310	0.000	1	103.1413	0.030	3	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Se<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5]){3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,3|C<3>}	103.0965	0.220	2	103.1413	0.030	3	103.0337	0.563	89	102.9835	0.568	98	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|B<4>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|B<4>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5]){2|H<1>,4|C<3>}	102.8760	0.000	1	102.8760	0.000	1	102.8440	0.134	7	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]Co)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|Co<4>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Co<4>,2|C<4>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Co)(N[5]N[5]){2|C<4>,4|C<3>}	102.6040	0.217	4	102.6040	0.047	4	102.8440	0.134	7	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|I<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|I<1>,2|C<4>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){2|C<4>,4|C<3>}	103.2830	0.000	1	103.2830	0.000	1	102.8440	0.134	7	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|Ir<4>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ir<4>,2|C<4>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){2|C<4>,4|C<3>}	103.3330	0.000	1	103.3330	0.000	1	102.8440	0.134	7	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])(N[5]C[5]C[6])	N[5](C[6]C[6]N[6])(C[5]C[5]Ir)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]C[6]){1|Ir<8>,1|C<4>,1|N<3>,3|C<3>}	N[5](C[6]C[6]N[6])(C[5]C[5]Ir)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Ir<8>,2|H<1>,3|C<3>}	102.0195	0.301	2	102.0195	0.090	2	102.0195	0.090	2	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|Br<1>,1|Cu<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]){1|Cu<3>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	102.6955	0.211	2	102.6955	0.045	2	102.8211	0.245	14	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|C<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	102.2420	0.000	1	102.2420	0.000	1	102.8211	0.245	14	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|Ir<4>,1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Ir<4>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){3|C<3>,3|C<4>}	102.3370	0.000	1	102.3370	0.000	1	102.8211	0.245	14	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|Rh<4>,1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Rh<4>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){3|C<3>,3|C<4>}	102.5545	0.375	2	102.5832	0.053	4	102.8211	0.245	14	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|Rh<6>,1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Rh<6>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){3|C<3>,3|C<4>}	102.6120	0.124	2	102.5832	0.053	4	102.8211	0.245	14	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|Cl<1>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cl<1>,2|C<4>,3|C<3>}	103.7640	0.000	1	103.7640	0.000	1	102.8211	0.245	14	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{1|Ru<5>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<5>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	102.6110	0.000	1	102.6110	0.000	1	102.8211	0.245	14	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	N[5](N[5]C[6a]C[5])2{2|I<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){1|I<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){1|I<1>,2|C<4>,3|C<3>}	103.2043	0.457	4	103.2043	0.209	4	102.8211	0.245	14	102.7583	0.240	23	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:4:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,2|O<2>,3|C<3>}	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	104.2430	0.000	1	104.2430	0.000	1	104.1790	0.008	2	104.1790	0.008	2	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	3:4:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C-4:N[5]-2:	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|H<1>}	104.1150	0.000	1	104.1150	0.000	1	104.1790	0.008	2	104.1790	0.008	2	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:3:2:	4:3:2:	N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	B-4:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])(N[5]C[5]B)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](BC[6a]N[5]2)(C[5]C[5]Mn)(N[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]B){1|Mn<6>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Mn<6>,1|B<4>,2|H<1>,4|C<3>}	N[5](BC[6a]N[5]2)(C[5]C[5]Mn)(N[5]N[5]){2|C<3>}	103.4820	0.760	3	103.4820	0.577	3	103.4820	0.577	3	103.4820	0.577	3	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:4:2:	3:2:1:	N[5]-3:N[5]-3:	C[5,6a]-3:C-4:N[5]-2:	C[5,6a]-3:N[5]-2:O-1:	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|C<4>,1|H<1>,2|C<3>}	105.2730	0.368	3	105.2730	0.135	3	105.2730	0.135	3	105.2730	0.135	3	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	104.6330	0.000	1	104.6330	0.000	1	104.3876	0.107	8	104.3876	0.107	8	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	104.3010	0.331	5	104.3010	0.110	5	104.3876	0.107	8	104.3876	0.107	8	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	104.1670	0.000	1	104.1670	0.000	1	104.3876	0.107	8	104.3876	0.107	8	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	N[5](C[5]C[5]Pd)(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Pd)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	104.7960	0.000	1	104.7960	0.000	1	104.3876	0.107	8	104.3876	0.107	8	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	4:2:2:	3:2:1:	N[5]-3:N[5]-3:	C[5]-4:N[5]-2:P[5]-2:	C[5]-3:N[5]-2:H-1:	N[5](N[5]C[5]P[5])(N[5]C[5]H)	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5])	N[5](C[5]P[5]C)(N[5]N[5])(H)	N[5](N[5]C[5]P[5])(N[5]C[5]H){1|Fe<10>,3|C<4>}	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5]){3|C<4>,3|H<1>}	N[5](C[5]P[5]C)(N[5]N[5])(H){1|C<4>}	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:N[5]-3:	C-4:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]C)2	N[5](CC[5x3,5x5,20x6]HH)(C[5]C[5]Ir)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	N[5](CC[5x3,5x5,20x6]HH)(C[5]C[5]Ir)(N[5]N[5]){1|C<3>,1|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<3>}	102.9920	0.000	1	102.9920	0.000	1	102.9920	0.000	1	102.8752	0.134	6	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]2Fe)(C[5]C[5]Cu)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|Cu<2>,1|C<3>,2|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]Cu)(N[5]N[5]){1|C<3>,1|H<1>,4|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,1|C<4>,2|C<3>}	102.7130	0.000	1	102.7130	0.000	1	102.8518	0.163	5	102.8752	0.134	6	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|H<1>,3|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5]){2|H<1>,4|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	103.5400	0.000	1	103.5400	0.000	1	102.8518	0.163	5	102.8752	0.134	6	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]2Fe)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|Pd<4>,3|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]Pd)(N[5]N[5]){2|H<1>,4|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	102.5735	0.074	2	102.5735	0.006	2	102.8518	0.163	5	102.8752	0.134	6	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]2Fe)(C[5]C[5]Pd)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|Pd<4>,1|C<3>,2|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]Pd)(N[5]N[5]){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	102.8590	0.000	1	102.8590	0.000	1	102.8518	0.163	5	102.8752	0.134	6	103.4928	1.103	349	103.4909	1.094	352
960	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:	6:3:2:	2:2:4:	N[5]-3:N[5]-3:	B[5x3,4,9x5,6,6]-6:C[5]-3:N[5]-2:	N[5]-2:N[5]-2:C-4:	N[5](N[5]B[5x3,4,9x5,6,6]C[5])(N[5]N[5]C)	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5])	N[5](N[5]C[5])(N[5]N[5])(CCHH)	N[5](N[5]B[5x3,4,9x5,6,6]C[5])(N[5]N[5]C){1|B<5>,1|C<4>,4|B<6>}	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5]){1|B<5>,1|C<4>,3|B<6>,5|H<1>}	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|B<6>,1|C<4>}	103.6460	0.000	1	103.6460	0.000	1	103.6460	0.000	1	103.6460	0.000	1	103.4928	1.103	349	103.4909	1.094	352
960	542	727	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5,5]-3:	N[5,5]-3:N[5]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])	N[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a])(C[5]C[5]Re)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5]){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	N[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a])(C[5]C[5]Re){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5]){1|C<4>,2|C<3>,2|H<1>}	104.5260	0.000	1	104.5260	0.000	1	104.5260	0.000	1	104.5260	0.000	1	104.5260	0.000	1	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5,6a]	3:3:	3:4:2:	3:2:2:	C[5,6a]-3:N[5,6]-3:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6a]-3:N[5]-2:N[6a]-2:	N[5](C[5,6a]N[5,6a]N[6a])(N[5,6]C[5,6]C[6])	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a])	C[5,6a](N[5,6a]C[5,6]C[6a])(N[5]N[5,6])(N[6a]C[6a])	N[5](C[5,6a]N[5,6a]N[6a])(N[5,6]C[5,6]C[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[5,6]C[6a])(N[5]N[5,6])(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>}	102.4960	0.025	2	102.4960	0.001	2	102.4960	0.001	2	102.4960	0.001	2	102.4960	0.001	2	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5a]	3:3:	3:2:1:	3:3:2:	C[5,5a]-3:N[5]-3:	C[5]-3:N[5]-2:D-1:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]D)	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(D)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]D)(N[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]D){1|D<1>,1|N<2>,2|C<3>}	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(D){1|N<2>,1|N<3>,2|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]D)(N[5]N[5]){1|C<3>,1|C<4>,1|D<1>}	101.6310	0.000	1	101.6310	0.000	1	101.6310	0.000	1	101.0002	0.196	4	101.0002	0.196	4	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5a]	3:3:	3:2:1:	3:3:2:	C[5,5a]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H)	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(H)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]H)(N[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(H){1|N<2>,1|N<3>,2|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]H)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	100.8250	0.000	1	100.8250	0.000	1	100.7900	0.028	3	101.0002	0.196	4	101.0002	0.196	4	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5a]	3:3:	3:2:1:	3:3:2:	C[5,5a]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H)	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H){1|C<3>,1|N<2>,2|N<3>}	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H){1|N<2>,1|N<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5]){1|H<1>,2|N<3>}	100.6070	0.000	1	100.7725	0.055	2	100.7900	0.028	3	101.0002	0.196	4	101.0002	0.196	4	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5a]	3:3:	3:2:1:	3:3:2:	C[5,5a]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H)	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H){1|C<3>,1|N<3>,2|N<2>}	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H){1|N<2>,1|N<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5]){1|H<1>,1|N<2>,1|N<3>}	100.9380	0.000	1	100.7725	0.055	2	100.7900	0.028	3	101.0002	0.196	4	101.0002	0.196	4	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	2:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	Se[5]-2:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5]){1|H<1>,4|C<3>}	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	110.6077	0.890	4	110.6077	0.791	4	110.6077	0.791	4	110.6077	0.791	4	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:2:1:	3:2:2:	C[5,6a]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5,6a]-3:N[6a]-2:N[5]-2:	N[5](C[5,6a]N[5,6a]N[6a])(N[5]C[5]H)	N[5](C[5]N[5,6a]N)(N[5]C[5,6a])(H)	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5])	N[5](C[5,6a]N[5,6a]N[6a])(N[5]C[5]H){3|N<2>}	N[5](C[5]N[5,6a]N)(N[5]C[5,6a])(H){2|N<2>}	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	102.7640	0.288	2	102.7640	0.083	2	102.7640	0.083	2	102.7640	0.083	2	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:N[5]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])	N[5](N[5]C[5,6a]Ta)(N[5]C[5,6a])(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5]){1|Ta<7>,1|C<4>,1|H<1>,3|C<3>}	N[5](N[5]C[5,6a]Ta)(N[5]C[5,6a])(C[6]C[6]2){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ta<7>,2|C<3>,2|H<1>}	104.7800	0.000	1	104.7800	0.000	1	104.7800	0.000	1	104.7800	0.000	1	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,3|H<1>}	103.5030	0.000	1	103.5030	0.000	1	103.6325	0.034	2	103.2930	0.204	4	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|S<1>,2|C<3>}	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	103.7620	0.000	1	103.7620	0.000	1	103.6325	0.034	2	103.2930	0.204	4	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C){1|Cu<4>,1|H<1>,2|C<3>}	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	102.9535	0.342	2	102.9535	0.117	2	102.9535	0.117	2	103.2930	0.204	4	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]N[5,6a]Rh)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,4|C<3>}	N[5](C[5]N[5,6a]Rh)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|Rh<6>,1|H<1>,3|C<3>}	103.0980	0.000	1	103.0980	0.000	1	103.1965	0.019	2	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]N[5,6a]Rh)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,4|C<3>}	N[5](C[5]N[5,6a]Rh)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	103.2950	0.000	1	103.2950	0.000	1	103.1965	0.019	2	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Al<4>,1|H<1>,4|C<3>}	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<4>,2|C<3>,2|H<1>}	103.6380	0.000	1	103.6866	0.093	15	103.7513	0.246	38	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Al<5>,1|H<1>,4|C<3>}	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<5>,2|C<3>,2|H<1>}	103.6901	0.317	14	103.6866	0.093	15	103.7513	0.246	38	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Co)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Co<6>,1|H<1>,4|C<3>}	N[5](N[5]C[5,6a]Co)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	103.8092	0.448	6	103.8092	0.201	6	103.7513	0.246	38	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Ni<6>,1|H<1>,4|C<3>}	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ni<6>,2|C<3>,2|H<1>}	103.7791	0.684	9	103.7791	0.467	9	103.7513	0.246	38	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	103.9670	0.000	1	103.8450	0.030	2	103.7513	0.246	38	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	103.7230	0.000	1	103.8450	0.030	2	103.7513	0.246	38	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Pd<4>,1|H<1>,4|C<3>}	N[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	103.9270	0.000	1	103.9270	0.000	1	103.7513	0.246	38	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Re<6>,1|H<1>,4|C<3>}	N[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	104.3333	0.354	3	104.3333	0.126	3	103.7513	0.246	38	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Zn<6>,1|H<1>,4|C<3>}	N[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Zn<6>,2|C<3>,2|H<1>}	102.8825	0.339	2	102.8825	0.115	2	103.7513	0.246	38	103.7235	0.249	40	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	4:2:3:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2){6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	106.1100	0.000	1	106.1100	0.000	1	106.1100	0.000	1	106.1100	0.000	1	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	4:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H){6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	4:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	B[5,5a]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5a]C[6a])	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5a]C[6a]){1|H<1>,2|O<2>,4|C<3>}	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>,2|O<2>}	109.6825	0.416	2	109.6825	0.173	2	109.6825	0.173	2	109.2707	0.596	3	104.5783	5.081	56	104.2842	5.395	63
960	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:	4:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	B[5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])	N[5](B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5]){1|H<1>,6|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	109.2707	0.596	3	104.5783	5.081	56	104.2842	5.395	63
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5,6]	3:3:	6:3:2:	3:2:3:	N[5,5]-3:C[5,6]-3:	In[5,5]-6:C[5,6a]-3:N[5]-2:	N[5,6]-3:N[5]-2:C[6]-3:	N[5](N[5,5]C[5,6a]In[5,5])(C[5,6]N[5,6]C[6])	N[5,5](In[5,5]N[5,6]N[5]Cl3)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6])	C[5,6](N[5,6]In[5,5]C[6])(N[5]N[5,5])(C[6]C[6]H)	N[5](N[5,5]C[5,6a]In[5,5])(C[5,6]N[5,6]C[6]){3|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5,5](In[5,5]N[5,6]N[5]Cl3)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]){1|H<1>,5|C<3>}	C[5,6](N[5,6]In[5,5]C[6])(N[5]N[5,5])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	3:3:2:	2:2:4:	N[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:N[5]-2:	N[5]-2:S[5]-2:C-4:	N[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5])	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3)	N[5](N[5,5]C[5,5]C[5])(C[5]S[5]C){1|C<3>,1|N<2>,1|N<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5]){1|Cd<6>,1|C<4>,2|C<3>}	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3){1|C<3>,1|N<3>}	107.8050	0.000	1	108.0990	0.067	3	108.0990	0.067	3	108.0990	0.067	3	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	3:3:2:	2:2:4:	N[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:N[5]-2:	N[5]-2:S[5]-2:C-4:	N[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5])	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3)	N[5](N[5,5]C[5,5]C[5])(C[5]S[5]C){1|C<3>,1|N<2>,1|N<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5]){1|Cu<4>,1|C<4>,2|C<3>}	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3){1|C<3>,1|N<3>}	108.2920	0.000	1	108.0990	0.067	3	108.0990	0.067	3	108.0990	0.067	3	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	3:3:2:	2:2:4:	N[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:N[5]-2:	N[5]-2:S[5]-2:C-4:	N[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5])	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3)	N[5](N[5,5]C[5,5]C[5])(C[5]S[5]C){1|C<3>,1|N<2>,1|N<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5]){1|Ni<4>,1|C<4>,2|C<3>}	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3){1|C<3>,1|N<3>}	108.2000	0.000	1	108.0990	0.067	3	108.0990	0.067	3	108.0990	0.067	3	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(N[5]C[5])	C[5](N[5]C[5,5]Cu)(N[5]N[5,5])(H)	N[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]H){1|Cu<5>,1|N<3>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(N[5]C[5]){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,5]Cu)(N[5]N[5,5])(H){1|C<3>,1|N<3>}	101.0320	0.000	1	101.0320	0.000	1	101.0320	0.000	1	101.0320	0.000	1	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5,5]-3:C[5]-3:	C[5]-3:C[5,5]-3:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	N[5,5](C[5]C[6]N[5])(C[5,5]N[5]2)(N[5]C[5])	C[5](N[5]C[5,5]H)(N[5]N[5,5])(CH3)	N[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|C<3>,1|H<1>,2|N<3>}	N[5,5](C[5]C[6]N[5])(C[5,5]N[5]2)(N[5]C[5]){2|Zn<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5]C[5,5]H)(N[5]N[5,5])(CH3){1|C<3>,1|N<3>}	101.7270	0.000	1	101.7270	0.000	1	101.7270	0.000	1	101.7270	0.000	1	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	3:3:2:	4:3:2:	N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5])	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]N[5,5])	N[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]){3|H<1>,4|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(N[5]C[5]){1|Au<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]N[5,5]){2|H<1>,4|C<3>}	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:2:	N[5,5]-3:C[5]-3:	C[5,5]-4:P[5]-4:N[5]-2:	C[6a]-3:Se[5]-2:N[5]-2:	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5])	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5])	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5]){1|Se<1>,3|C<3>,3|C<4>}	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	4:4:2:	4:2:4:	N[5,5]-3:C[5]-3:	C[5]-4:C[5,5]-4:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(N[5]C[5])	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5,5])(CF3)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5,5])(CF3){1|H<1>,2|C<3>,2|C<4>}	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	5:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	Ga[3x5]-5:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]Ga[3x5]C[5])(C[5]S[5]N)	N[5,5](Ga[3x5]N[5,5]S[5]2Cl)(C[5]C[5]C)(N[5]C[5])	C[5](S[5]Ga[3x5])(N[5]N[5,5])(NCH)	N[5](N[5,5]Ga[3x5]C[5])(C[5]S[5]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|S<2>}	N[5,5](Ga[3x5]N[5,5]S[5]2Cl)(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](S[5]Ga[3x5])(N[5]N[5,5])(NCH){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>}	111.4455	0.012	2	111.4455	0.000	2	112.0093	0.954	3	113.0448	2.349	6	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	5:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	Ga[3x5]-5:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]Ga[3x5]C[5])(C[5]S[5]N)	N[5,5](Ga[3x5]N[5,6]N[5]S[5]2)(C[5]C[5,6]C)(N[5]C[5])	C[5](S[5]Ga[3x5])(N[5]N[5,5])(NC[6a]H)	N[5](N[5,5]Ga[3x5]C[5])(C[5]S[5]N){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	N[5,5](Ga[3x5]N[5,6]N[5]S[5]2)(C[5]C[5,6]C)(N[5]C[5]){1|N<2>,1|N<3>,4|C<3>}	C[5](S[5]Ga[3x5])(N[5]N[5,5])(NC[6a]H){1|C<3>,1|S<2>,2|N<3>}	113.1370	0.000	1	113.1370	0.000	1	112.0093	0.954	3	113.0448	2.349	6	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	5:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	Ga[5,5]-5:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]Ga[5,5]C[5])(C[5]S[5]N)	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C)(N[5]C[5])	C[5](S[5]Ga[5,5])(N[5]N[5,5])(NHH)	N[5](N[5,5]Ga[5,5]C[5])(C[5]S[5]N){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5](S[5]Ga[5,5])(N[5]N[5,5])(NHH){2|Cl<1>,1|C<3>,1|N<3>}	113.3070	0.000	1	113.3070	0.000	1	113.3275	0.001	2	113.0448	2.349	6	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	5:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	Ga[5,5]-5:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]Ga[5,5]C[5])(C[5]S[5]N)	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5])	C[5](S[5]Ga[5,5])(N[5]N[5,5])(NC[6]C)	N[5](N[5,5]Ga[5,5]C[5])(C[5]S[5]N){2|Cl<1>,1|N<3>,2|C<3>}	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5]){1|N<3>,4|C<3>}	C[5](S[5]Ga[5,5])(N[5]N[5,5])(NC[6]C){2|Cl<1>,1|C<3>,1|N<3>}	113.3480	0.000	1	113.3480	0.000	1	113.3275	0.001	2	113.0448	2.349	6	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	5:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	In[5,5]-5:C[5]-3:N[5]-2:	Se[5]-2:N[5]-2:N-3:	N[5](N[5,5]In[5,5]C[5])(C[5]Se[5]N)	N[5,5](In[5,5]N[5,6]Se[5]Br2)(C[5]C[5,6]C)(N[5]C[5])	C[5](Se[5]In[5,5])(N[5]N[5,5])(NCC)	N[5](N[5,5]In[5,5]C[5])(C[5]Se[5]N){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	N[5,5](In[5,5]N[5,6]Se[5]Br2)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5](Se[5]In[5,5])(N[5]N[5,5])(NCC){2|Br<1>,1|C<3>,1|N<3>}	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	113.0448	2.349	6	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	Ga[4x5]-6:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]Ga[4x5]C[5])(C[5]S[5]N)	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C)(N[5]C[5])	C[5](S[5]Ga[4x5])(N[5]N[5,5])(NC[6a]H)	N[5](N[5,5]Ga[4x5]C[5])(C[5]S[5]N){1|C<3>,1|C<4>,1|S<2>,3|N<3>}	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C)(N[5]C[5]){1|N<2>,1|N<3>,6|C<3>}	C[5](S[5]Ga[4x5])(N[5]N[5,5])(NC[6a]H){1|C<3>,1|S<2>,3|N<3>}	112.5345	1.696	2	112.5345	2.878	2	113.3263	1.796	4	114.1443	0.918	14	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	Ga[4x5]-6:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]Ga[4x5]C[5])(C[5]S[5]N)	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C[6a])(N[5]C[5])	C[5](S[5]Ga[4x5])(N[5]N[5,5])(NCC)	N[5](N[5,5]Ga[4x5]C[5])(C[5]S[5]N){1|S<2>,2|C<3>,3|N<3>}	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C[6a])(N[5]C[5]){1|N<2>,1|N<3>,8|C<3>}	C[5](S[5]Ga[4x5])(N[5]N[5,5])(NCC){1|C<3>,1|S<2>,3|N<3>}	114.1180	0.052	2	114.1180	0.003	2	113.3263	1.796	4	114.1443	0.918	14	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	In[4x5]-6:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]In[4x5]C[5])(C[5]S[5]N)	N[5,5](In[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C)(N[5]C[5])	C[5](S[5]In[4x5])(N[5]N[5,5])(NC[6a]H)	N[5](N[5,5]In[4x5]C[5])(C[5]S[5]N){1|C<3>,1|C<4>,1|S<2>,3|N<3>}	N[5,5](In[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C)(N[5]C[5]){1|N<2>,1|N<3>,6|C<3>}	C[5](S[5]In[4x5])(N[5]N[5,5])(NC[6a]H){1|C<3>,1|S<2>,3|N<3>}	114.3102	0.274	4	114.3102	0.075	4	114.3102	0.075	4	114.1443	0.918	14	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	In[5,5]-6:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N)	N[5,5](In[5,5]N[5,6]S[5]Br2O)(C[5]C[5,6]C)(N[5]C[5])	C[5](S[5]In[5,5])(N[5]N[5,5])(NCC)	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N){2|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<3>}	N[5,5](In[5,5]N[5,6]S[5]Br2O)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5](S[5]In[5,5])(N[5]N[5,5])(NCC){2|Br<1>,1|C<3>,1|N<3>,1|O<3>}	114.6880	0.000	1	114.6880	0.000	1	114.5790	0.479	6	114.1443	0.918	14	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	In[5,5]-6:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N)	N[5,5](In[5,5]N[5,6]S[5]Cl2O)(C[5]C[5,6]C)(N[5]C[5])	C[5](S[5]In[5,5])(N[5]N[5,5])(NC[6a]H)	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5,5](In[5,5]N[5,6]S[5]Cl2O)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5](S[5]In[5,5])(N[5]N[5,5])(NC[6a]H){2|Cl<1>,1|C<3>,1|N<3>,1|O<2>}	113.7690	0.000	1	113.7690	0.000	1	114.5790	0.479	6	114.1443	0.918	14	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	In[5,5]-6:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N)	N[5,5](In[5,5]N[5,6]S[5]Cl2O)(C[5]C[5,6]C)(N[5]C[5])	C[5](S[5]In[5,5])(N[5]N[5,5])(NHH)	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<3>}	N[5,5](In[5,5]N[5,6]S[5]Cl2O)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5](S[5]In[5,5])(N[5]N[5,5])(NHH){2|Cl<1>,1|C<3>,1|N<3>,1|O<3>}	114.0160	0.000	1	114.0160	0.000	1	114.5790	0.479	6	114.1443	0.918	14	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	In[5,5]-6:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N)	N[5,5](In[5,5]N[5,6]S[5]Cl2S)(C[5]C[5,6]C)(N[5]C[5])	C[5](S[5]In[5,5])(N[5]N[5,5])(NCH)	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|S<2>}	N[5,5](In[5,5]N[5,6]S[5]Cl2S)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5](S[5]In[5,5])(N[5]N[5,5])(NCH){2|Cl<1>,1|C<3>,1|N<3>,1|S<2>}	114.7300	0.000	1	114.7300	0.000	1	114.5790	0.479	6	114.1443	0.918	14	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	In[5,5]-6:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N)	N[5,5](In[5,5]N[5,6]S[5]Cl2S)(C[5]C[5,6]C)(N[5]C[5])	C[5](S[5]In[5,5])(N[5]N[5,5])(NHH)	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|S<2>}	N[5,5](In[5,5]N[5,6]S[5]Cl2S)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5](S[5]In[5,5])(N[5]N[5,5])(NHH){2|Cl<1>,1|C<3>,1|N<3>,1|S<2>}	115.7560	0.000	1	115.7560	0.000	1	114.5790	0.479	6	114.1443	0.918	14	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,5]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,5]-3:C[5]-3:	In[5,5]-6:C[5]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N)	N[5,5](In[5,5]N[5,6]S[5]Cl3)(C[5]C[5,6]H)(N[5]C[5])	C[5](S[5]In[5,5])(N[5]N[5,5])(NHH)	N[5](N[5,5]In[5,5]C[5])(C[5]S[5]N){3|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	N[5,5](In[5,5]N[5,6]S[5]Cl3)(C[5]C[5,6]H)(N[5]C[5]){1|N<3>,2|C<3>}	C[5](S[5]In[5,5])(N[5]N[5,5])(NHH){3|Cl<1>,1|C<3>,1|N<3>}	114.5150	0.000	1	114.5150	0.000	1	114.5790	0.479	6	114.1443	0.918	14	111.8192	15.314	28	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Co)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Co<6>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Co<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Co)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.4840	0.000	1	101.4840	0.000	1	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Cu)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Cu<5>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Cu<5>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Cu)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	102.0902	0.478	5	102.4662	1.031	6	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Cu)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Cu<5>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Cu<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6]Cu)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	104.3460	0.000	1	102.4662	1.031	6	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Fe)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Fe<6>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Fe<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Fe)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.3270	0.000	1	101.3270	0.000	1	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Mn)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Mn<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Mn)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.5680	0.000	1	101.5680	0.000	1	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Ni)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Ni<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Ni)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.6740	0.000	1	101.6740	0.000	1	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Pt)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Pt)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	102.1767	0.897	4	102.1767	0.805	4	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Ru)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Ru<9>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Ru<9>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5,6]Ru)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.7620	0.000	1	101.7245	0.003	2	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Ru)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Ru<9>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Ru<9>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Ru)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.6870	0.000	1	101.7245	0.003	2	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Zn)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Zn<4>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Zn<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Zn)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.5090	0.338	2	101.5613	0.065	3	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[5](N[5]C[5,6]Zn)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Zn<6>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Zn<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Zn)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.6660	0.000	1	101.5613	0.065	3	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5])	C[5](N[5]C[5,6]Ag)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Ag<5>,1|C<3>,1|H<1>,1|N<3>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5]){2|Ag<5>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Ag)(N[5]N[5,6])(H){1|C<3>,1|N<3>}	101.9230	0.001	2	101.9230	0.000	2	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5])	C[5](N[5]C[5,6]Cd)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5]){1|Cd<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Cd)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.8970	0.000	1	101.8970	0.000	1	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5])	C[5](N[5]C[5,6]Co)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5]){1|Co<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Co)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.9970	0.000	1	101.9970	0.000	1	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5])	C[5](N[5]C[5,6]Cu)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5]){1|Cu<5>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Cu)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.7755	0.006	2	101.7755	0.000	2	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5])	C[5](N[5]C[5,6]Mn)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5]){1|Mn<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Mn)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.8640	0.000	1	101.8640	0.000	1	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5])	C[5](N[5]C[5,6]Zn)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]H)(N[5]C[5]){1|Zn<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Zn)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.8208	0.188	4	101.8208	0.035	4	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]N)(N[5]C[5])	C[5](N[5]C[5,6]Cu)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Cu<5>,1|C<3>,2|N<3>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]N)(N[5]C[5]){2|Cu<5>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Cu)(N[5]N[5,6])(H){1|C<3>,1|N<3>}	100.2724	3.157	2	100.2724	9.969	2	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]N)(N[5]C[5])	C[5](N[5]C[5,6]Zn)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Zn<6>,1|C<3>,1|N<2>,1|N<3>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]N)(N[5]C[5]){1|Zn<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Zn)(N[5]N[5,6])(H){1|C<3>,1|N<2>}	101.3855	0.009	2	101.3855	0.000	2	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]O)(N[5]C[5])	C[5](N[5]C[5,6]Pd)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Pd<4>,1|C<3>,1|N<3>,1|O<1>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]O)(N[5]C[5]){2|Pd<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6]Pd)(N[5]N[5,6])(H){1|C<3>,1|N<3>}	101.4465	0.223	2	101.4465	0.050	2	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]O)(N[5]C[5])	C[5](N[5]C[5,6]Pt)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|Pt<4>,1|C<3>,1|N<3>,1|O<1>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]O)(N[5]C[5]){1|Pt<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6]Pt)(N[5]N[5,6])(H){1|C<3>,1|N<3>}	101.4700	0.544	2	101.4700	0.296	2	101.7704	0.742	38	101.7704	0.742	38	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:4:2:	3:2:1:	N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5])	C[5](N[5]C[5,6]C)(N[5]N[5,6])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|S<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5]){1|O<2>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6]C)(N[5]N[5,6])(H){1|C<4>,1|S<2>}	103.5560	0.000	1	103.5560	0.000	1	103.5560	0.000	1	103.5560	0.000	1	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:4:2:	3:2:2:	N[5,6]-3:C[5]-3:	C[5,6]-3:B[6]-4:N[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]O[5])	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6])	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]O[5]){1|O<2>,5|C<3>}	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5]){7|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6]){1|B<4>,2|H<1>,3|C<3>}	104.8420	0.000	1	104.8420	0.000	1	104.8420	0.000	1	104.8420	0.000	1	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	3:4:2:	3:3:2:	N[5,6]-3:C[5]-3:	C[5,6]-3:B[6]-4:N[5]-2:	C[6a]-3:N[5]-3:N[5]-2:	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6])	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5]){2|C<4>,5|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5]){1|C<4>,2|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6]){1|B<4>,2|H<1>,3|C<3>}	105.2830	0.000	1	105.2830	0.000	1	105.2830	0.000	1	105.2830	0.000	1	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:3:2:	2:2:3:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-2:	N[5]-2:S[5]-2:N-3:	N[5](N[5,6]C[5,6]C[6])(C[5]S[5]N)	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]N[6]C)(N[5]C[5])	C[5](N[5]N[5,6])(S[5]C[5,6])(NHH)	N[5](N[5,6]C[5,6]C[6])(C[5]S[5]N){1|C<4>,1|N<3>,2|C<3>}	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]N[6]C)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]N[5,6])(S[5]C[5,6])(NHH){3|C<3>}	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:3:2:	3:2:3:	N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:N[5]-2:	C[5]-3:N[5]-2:C-3:	N[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5])	C[5](C[5]N[5,6]C)(N[5]N[5,6])(COO)	N[5](N[5,6]N[5,6]B[6])(C[5]C[5]C){1|B<4>,1|N<3>,3|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5]){1|N<2>,1|N<3>,8|C<3>}	C[5](C[5]N[5,6]C)(N[5]N[5,6])(COO){2|B<4>}	106.0230	0.047	2	106.0230	0.002	2	106.0230	0.002	2	105.1923	2.071	3	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:3:2:	3:2:3:	N[5,6]-3:C[5]-3:	C[6]-4:C[5,6]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]N)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5])	C[5](N[5]C[5,6]C)(N[5]N[5,6])(NHH)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]N){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5,6]C)(N[5]N[5,6])(NHH){1|C<4>,1|N<3>}	103.5310	0.000	1	103.5310	0.000	1	103.5310	0.000	1	105.1923	2.071	3	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:3:2:	4:2:3:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]C[6])(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(COO)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C){1|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]C[6])(N[5]C[5]){1|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:3:2:	4:2:4:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]S)(N[5]C[5])	C[5](C[5]C[5,6]CH)(N[5]N[5,6])(CH3)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]S)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6])(CH3){1|H<1>,2|C<3>}	107.0480	0.000	1	107.0480	0.000	1	106.4775	0.651	2	106.4775	0.651	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:3:2:	4:2:4:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]O)(N[5]C[5])	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]O)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3){1|H<1>,2|C<3>}	105.9070	0.000	1	105.9070	0.000	1	106.4775	0.651	2	106.4775	0.651	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:4:2:	2:2:4:	N[5,6]-3:C[5]-3:	Si[5,6]-4:C[6]-4:N[5]-2:	O[5]-2:N[5]-2:C-4:	N[5](N[5,6]Si[5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5])	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3)	N[5](N[5,6]Si[5,6]C[6])(C[5]O[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3){1|O<2>,2|C<4>}	107.9145	0.220	2	107.9145	0.048	2	107.9145	0.048	2	107.9145	0.048	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:4:2:	4:2:4:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	108.0945	0.760	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:4:2:	4:2:4:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5])	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>}	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.0945	0.760	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	4:4:2:	4:3:2:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6])	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|N<3>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,3|C<3>,3|H<1>}	108.5145	0.036	2	108.5145	0.001	2	108.5145	0.001	2	108.5145	0.001	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	5:3:2:	2:2:4:	N[5,6]-3:C[5]-3:	Si[5,5,6]-5:C[6]-3:N[5]-2:	O[5]-2:N[5]-2:C-4:	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,3|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	106.7570	0.000	1	106.7570	0.000	1	106.5490	0.087	2	106.5490	0.087	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	5:3:2:	2:2:4:	N[5,6]-3:C[5]-3:	Si[5,5,6]-5:C[6]-3:N[5]-2:	O[5]-2:N[5]-2:C-4:	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,3|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	106.3410	0.000	1	106.3410	0.000	1	106.5490	0.087	2	106.5490	0.087	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	5:3:2:	2:3:2:	N[5,6]-3:C[5]-3:	Si[5,5,6]-5:C[5,6]-3:N[5]-2:	O[5]-2:C[6a]-3:N[5]-2:	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	105.9180	0.000	1	105.9180	0.000	1	105.9180	0.000	1	105.9703	0.848	3	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	5:3:2:	2:3:2:	N[5,6]-3:C[5]-3:	Si[5,5,6]-5:C[6]-3:N[5]-2:	O[5]-2:C[6a]-3:N[5]-2:	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	105.9965	1.300	2	105.9965	1.691	2	105.9965	1.691	2	105.9703	0.848	3	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	5:4:2:	2:2:4:	N[5,6]-3:C[5]-3:	Si[5,5,6]-5:C[6]-4:N[5]-2:	O[5]-2:N[5]-2:C-4:	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,4|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3){1|N<3>,1|O<2>,2|C<4>}	108.3070	0.000	1	108.3070	0.000	1	108.3525	0.004	2	108.3525	0.004	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	5:4:2:	2:2:4:	N[5,6]-3:C[5]-3:	Si[5,5,6]-5:C[6]-4:N[5]-2:	O[5]-2:N[5]-2:C-4:	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,4|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>}	108.3980	0.000	1	108.3980	0.000	1	108.3525	0.004	2	108.3525	0.004	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	5:4:2:	2:3:2:	N[5,6]-3:C[5]-3:	Si[5,5,6]-5:C[5,6]-4:N[5]-2:	O[5]-2:C[6a]-3:N[5]-2:	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5]2)(N[5]C[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,4|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5]2)(N[5]C[5]){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.6940	0.223	3	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	5:4:2:	2:3:2:	N[5,6]-3:C[5]-3:	Si[5,5,6]-5:C[6]-4:N[5]-2:	O[5]-2:C[6a]-3:N[5]-2:	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,4|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|N<2>,2|H<1>,3|C<3>}	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.6385	0.654	2	108.6385	0.428	2	108.6385	0.428	2	108.6940	0.223	3	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:	6:3:2:	2:2:3:	N[5,6]-3:C[5]-3:	In[5,5,6,6]-6:C[6]-3:N[5]-2:	S[5]-2:N[5]-2:N-3:	N[5](N[5,6]In[5,5,6,6]C[6])(C[5]S[5]N)	N[5,6](In[5,5,6,6]N[5,6]O[6]2S[5]2)(C[6]C[6,6a]H)(N[5]C[5])	C[5](S[5]In[5,5,6,6])(N[5]N[5,6])(NCC)	N[5](N[5,6]In[5,5,6,6]C[6])(C[5]S[5]N){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|O<2>}	N[5,6](In[5,5,6,6]N[5,6]O[6]2S[5]2)(C[6]C[6,6a]H)(N[5]C[5]){1|N<2>,1|N<3>,5|C<3>}	C[5](S[5]In[5,5,6,6])(N[5]N[5,6])(NCC){1|C<3>,1|N<3>,1|S<2>,2|O<2>}	115.4775	0.425	2	115.4775	0.181	2	115.4775	0.181	2	115.4775	0.181	2	104.2438	11.929	66	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:	3:3:2:	3:4:2:	C[5,5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-4:N[5]-2:	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]C)(C[6a]C[6a]2)(N[5]C[5,5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]N[5,5]C)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|C<3>,1|C<4>,4|H<1>}	102.6390	0.066	3	102.6390	0.004	3	102.4707	0.136	15	102.4707	0.136	15	102.4707	0.136	15	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:	3:3:2:	3:4:2:	C[5,5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-4:N[5]-2:	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5])	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5]){1|C<3>,1|C<4>,4|H<1>}	102.2785	0.152	2	102.2138	0.049	4	102.4707	0.136	15	102.4707	0.136	15	102.4707	0.136	15	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:	3:3:2:	3:4:2:	C[5,5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-4:N[5]-2:	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5])	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5]){1|C<3>,5|H<1>}	102.1490	0.328	2	102.2138	0.049	4	102.4707	0.136	15	102.4707	0.136	15	102.4707	0.136	15	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:	3:3:2:	3:4:2:	C[5,5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-4:N[5]-2:	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|C<3>,1|C<4>,4|H<1>}	102.2510	0.000	1	102.6825	0.082	6	102.4707	0.136	15	102.4707	0.136	15	102.4707	0.136	15	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:	3:3:2:	3:4:2:	C[5,5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-4:N[5]-2:	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|C<3>,5|H<1>}	102.6600	0.000	1	102.6825	0.082	6	102.4707	0.136	15	102.4707	0.136	15	102.4707	0.136	15	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:	3:3:2:	3:4:2:	C[5,5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-4:N[5]-2:	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|C<3>,5|H<1>}	102.9605	0.193	2	102.6825	0.082	6	102.4707	0.136	15	102.4707	0.136	15	102.4707	0.136	15	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:	3:3:2:	3:4:2:	C[5,5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-4:N[5]-2:	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,4|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|C<3>,1|C<4>,4|H<1>}	102.6315	0.166	2	102.6825	0.082	6	102.4707	0.136	15	102.4707	0.136	15	102.4707	0.136	15	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:	3:3:2:	3:4:2:	C[5,5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-4:N[5]-2:	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){1|Se<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|Se<1>,1|C<3>,4|H<1>}	101.6280	0.000	1	102.0970	0.440	2	102.4707	0.136	15	102.4707	0.136	15	102.4707	0.136	15	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:	3:3:2:	3:4:2:	C[5,5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-4:N[5]-2:	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){1|Se<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|Se<1>,1|C<3>,1|C<4>,3|H<1>}	102.5660	0.000	1	102.0970	0.440	2	102.4707	0.136	15	102.4707	0.136	15	102.4707	0.136	15	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:2:1:	3:2:2:	C[5,6]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5,6]-3:N[5]-2:N[6]-2:	N[5](C[5,6]N[5,6]N[6])(N[5]C[5]H)	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H)	C[5,6](N[5,6]C[5]N[6])(N[5]N[5])(N[6]N[6])	N[5](C[5,6]N[5,6]N[6])(N[5]C[5]H){1|N<2>,2|N<3>}	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H){2|N<2>}	C[5,6](N[5,6]C[5]N[6])(N[5]N[5])(N[6]N[6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	102.7710	0.000	1	103.0570	0.164	2	103.0570	0.164	2	103.0570	0.164	2	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:2:1:	3:2:2:	C[5,6]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5,6]-3:N[5]-2:N[6]-2:	N[5](C[5,6]N[5,6]N[6])(N[5]C[5]H)	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H)	C[5,6](N[5,6]C[5]N[6])(N[5]N[5])(N[6]N[6])	N[5](C[5,6]N[5,6]N[6])(N[5]C[5]H){1|N<3>,2|N<2>}	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H){2|N<2>}	C[5,6](N[5,6]C[5]N[6])(N[5]N[5])(N[6]N[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	103.3430	0.000	1	103.0570	0.164	2	103.0570	0.164	2	103.0570	0.164	2	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:2:2:	3:4:2:	C[5,6]-3:N[5]-3:	C[6a]-3:N[5]-2:S[5]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]S[5])	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5])	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]S[5]){1|C<4>,1|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5]){3|O<2>,4|C<3>}	113.3850	0.000	1	113.3850	0.000	1	113.3850	0.000	1	113.3850	0.000	1	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6,6a]-3:N[5,6]-3:N[5]-2:	N[5](C[5,6]C[6,6a]N[5,6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5])	N[5](C[5,6]C[6,6a]N[5,6])(N[5]C[6a]C[5]){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){3|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5]){2|C<4>,3|C<3>,3|H<1>}	103.7830	0.000	1	103.7830	0.000	1	103.7830	0.000	1	103.7830	0.000	1	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:3:2:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,6]-3:C[6]-4:N[5]-2:	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	104.3140	0.638	2	104.3140	0.407	2	103.9770	0.310	8	103.9770	0.310	8	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:3:2:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,6]-3:C[6]-4:N[5]-2:	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>}	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<3>,2|C<4>,2|H<1>}	103.4930	0.000	1	103.4930	0.000	1	103.9770	0.310	8	103.9770	0.310	8	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:3:2:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,6]-3:C[6]-4:N[5]-2:	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|H<1>,2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	103.9900	0.000	1	103.9130	0.012	2	103.9770	0.310	8	103.9770	0.310	8	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:3:2:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,6]-3:C[6]-4:N[5]-2:	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	103.8360	0.000	1	103.9130	0.012	2	103.9770	0.310	8	103.9770	0.310	8	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:3:2:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,6]-3:C[6]-4:N[5]-2:	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]N)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6]N)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	104.3175	0.706	2	104.3175	0.499	2	103.9770	0.310	8	103.9770	0.310	8	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:3:2:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,6]-3:C[6]-4:N[5]-2:	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]Se)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|Se<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6]Se)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|Se<1>,1|C<4>,1|H<1>,2|C<3>}	103.2340	0.000	1	103.2340	0.000	1	103.9770	0.310	8	103.9770	0.310	8	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	3:3:2:	4:4:2:	C[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[6]-4:N[5]-2:	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5])	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	106.5930	0.000	1	106.5930	0.000	1	106.5930	0.000	1	106.5930	0.000	1	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:2:3:	3:3:2:	C[5,6]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	N[5,6]-3:C[6]-3:N[5]-2:	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)	N[5](C[5]N[5,6]CH)(N[5]C[5,6])(CCO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]N[5,6]CH)(N[5]C[5,6])(CCO){2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	103.4430	0.000	1	103.4430	0.000	1	104.5245	2.339	2	104.5245	2.339	2	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:2:3:	3:3:2:	C[5,6]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	N[5,6]-3:C[6]-3:N[5]-2:	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)	N[5](C[5]N[5,6]C[5]H)(N[5]C[5,6])(CNO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6]C[5]H)(N[5]C[5,6])(CNO){1|H<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	105.6060	0.000	1	105.6060	0.000	1	104.5245	2.339	2	104.5245	2.339	2	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:2:3:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNO){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,4|C<3>,4|H<1>}	106.5460	0.000	1	106.5460	0.000	1	106.9945	0.402	2	106.9945	0.402	2	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:2:3:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,4|C<3>,4|H<1>}	107.4430	0.000	1	107.4430	0.000	1	106.9945	0.402	2	106.9945	0.402	2	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:2:3:	4:3:2:	C[5,6]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5,6]-4:C[6]-3:N[5]-2:	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|C<4>,2|C<3>,5|H<1>}	107.1200	0.000	1	107.1200	0.000	1	107.3670	0.122	2	107.3670	0.122	2	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:2:3:	4:3:2:	C[5,6]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5,6]-4:C[6]-3:N[5]-2:	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|C<4>,2|C<3>,5|H<1>}	107.6140	0.000	1	107.6140	0.000	1	107.3670	0.122	2	107.3670	0.122	2	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:2:3:	4:4:2:	C[5,6]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5,6]-4:C[6]-4:N[5]-2:	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)	N[5](C[5]C[5,6]CC)(N[5]C[5,6])(CNS)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C){3|H<1>,4|C<4>}	N[5](C[5]C[5,6]CC)(N[5]C[5,6])(CNS){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){1|C<3>,3|H<1>,4|C<4>}	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:2:4:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-4:N[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-2:	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:3:2:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,4|C<3>,4|H<1>}	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:3:2:	4:4:2:	C[5,6]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:N[5]-2:	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]2)	N[5](C[5]C[5,6]CC)(C[5]N[5]S[5])(N[5]C[5,6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]2){1|N<2>,1|S<2>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]CC)(C[5]N[5]S[5])(N[5]C[5,6]){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){1|C<3>,3|H<1>,4|C<4>}	106.9305	0.402	2	106.9305	0.162	2	106.9305	0.162	2	107.6130	0.679	4	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:	4:3:2:	4:4:2:	C[5,6]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[6]-4:N[5]-2:	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){2|C<3>,2|H<1>,4|C<4>}	108.2955	0.104	2	108.2955	0.011	2	108.2955	0.011	2	107.6130	0.679	4	105.8568	5.736	26	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:1:	3:2:1:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:O-1:	N[5]-3:N[5]-2:Cl-1:	N[5](C[5]N[5]Cl)(N[5]N[5]O)	N[5](N[5]C[5])(N[5]N[5])(O)	C[5](N[5]C[6a]N[5])(N[5]N[5])(Cl)	N[5](C[5]N[5]Cl)(N[5]N[5]O){1|C<3>}	N[5](N[5]C[5])(N[5]N[5])(O){1|Cl<1>,1|C<3>}	C[5](N[5]C[6a]N[5])(N[5]N[5])(Cl){1|O<1>,2|C<3>}	101.9830	0.000	1	101.9830	0.000	1	101.9830	0.000	1	101.9830	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:1:	3:2:4:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:O-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]N[5]O)	N[5](N[5]C[5])(N[5]N[5])(O)	C[5](N[5]N[5]C)(N[5]N[5])(CCHH)	N[5](C[5]N[5]C)(N[5]N[5]O){1|C<4>}	N[5](N[5]C[5])(N[5]N[5])(O){2|C<4>}	C[5](N[5]N[5]C)(N[5]N[5])(CCHH){1|O<1>}	102.6250	0.000	1	102.6250	0.000	1	102.6250	0.000	1	102.6250	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:2:	3:2:1:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:N-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NH)	C[5](N[5]N[5]Mn)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]N[5]N){1|Mn<6>}	N[5](N[5]C[5])(N[5]N[5])(NH){1|Mn<6>,1|H<1>}	C[5](N[5]N[5]Mn)(N[5]N[5])(H){1|N<2>}	100.7640	0.000	1	100.7640	0.000	1	100.7640	0.000	1	100.7640	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:3:	3:2:1:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:N-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH)	C[5](N[5]N[5]Fe)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]N[5]N){1|Fe<6>}	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Fe<6>,1|H<1>}	C[5](N[5]N[5]Fe)(N[5]N[5])(H){1|N<3>}	100.9470	0.445	6	100.9470	0.198	6	101.0745	0.185	16	101.0745	0.185	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:3:	3:2:1:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:N-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH)	C[5](N[5]N[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]N[5]N){1|H<1>}	N[5](N[5]C[5])(N[5]N[5])(NHH){2|H<1>}	C[5](N[5]N[5]H)(N[5]N[5])(H){1|N<3>}	101.6760	0.000	1	101.6760	0.000	1	101.0745	0.185	16	101.0745	0.185	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:3:	3:2:1:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:N-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH)	C[5](N[5]N[5]Mn)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]N[5]N){1|Mn<6>}	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Mn<6>,1|H<1>}	C[5](N[5]N[5]Mn)(N[5]N[5])(H){1|N<3>}	101.0020	0.308	3	101.0020	0.095	3	101.0745	0.185	16	101.0745	0.185	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:3:	3:2:1:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:N-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH)	C[5](N[5]N[5]Zn)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]N[5]N){1|Zn<6>}	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Zn<6>,1|H<1>}	C[5](N[5]N[5]Zn)(N[5]N[5])(H){1|N<3>}	101.1380	0.468	6	101.1380	0.219	6	101.0745	0.185	16	101.0745	0.185	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:3:	3:2:4:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:N-3:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH)	C[5](N[5]N[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]N[5]N){1|C<4>}	N[5](N[5]C[5])(N[5]N[5])(NHH){2|C<4>}	C[5](N[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	101.9430	0.000	1	101.9430	0.000	1	101.9430	0.000	1	101.9430	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:3:	3:3:2:	C[5]-3:N[5]-3:	C[5]-2:N[5]-2:P-3:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]P)	N[5](C[5]N[5])(N[5]C[5])(PCC)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]P){1|C<4>,2|C<3>}	N[5](C[5]N[5])(N[5]C[5])(PCC){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|P<3>,2|C<3>,2|H<1>}	102.7310	0.000	1	102.7310	0.000	1	102.7310	0.000	1	102.7310	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:2:1:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C[5](N[5]N[5]Cu)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]N[5]C){1|Cu<5>}	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Cu<5>,1|H<1>}	C[5](N[5]N[5]Cu)(N[5]N[5])(H){1|C<4>}	101.4740	0.000	1	101.4740	0.000	1	101.4740	0.000	1	101.4740	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:2:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-2:N-2:	N[5](C[5]N[5]N)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	C[5](N[5]N[5]Ni)(N[5]N[5])(NN)	N[5](C[5]N[5]N)(N[5]N[5]C){1|Ni<6>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ni<6>,1|N<2>}	C[5](N[5]N[5]Ni)(N[5]N[5])(NN){1|C<4>}	101.3500	0.000	1	101.3500	0.000	1	101.3500	0.000	1	102.2225	1.523	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:2:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-2:S-2:	N[5](C[5]N[5]S)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(N[5]N[5])(SC)	N[5](C[5]N[5]S)(N[5]N[5]C){1|C<3>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<3>,1|S<2>}	C[5](N[5]C[6a]N[5])(N[5]N[5])(SC){1|C<4>,2|C<3>}	103.0950	0.000	1	103.0950	0.000	1	103.0950	0.000	1	102.2225	1.523	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:2:3:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-2:N-3:	N[5](C[5]N[5]N)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	C[5](N[5]N[5]C)(N[5]N[5])(NHH)	N[5](C[5]N[5]N)(N[5]N[5]C){1|C<4>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<4>,1|N<3>}	C[5](N[5]N[5]C)(N[5]N[5])(NHH){1|C<4>}	102.6090	0.000	1	102.6090	0.000	1	102.6215	0.000	2	102.6215	0.000	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:2:3:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-2:N-3:	N[5](C[5]N[5]N)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	C[5](N[5]N[5]H)(N[5]N[5])(NHH)	N[5](C[5]N[5]N)(N[5]N[5]C){1|H<1>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|H<1>,1|N<3>}	C[5](N[5]N[5]H)(N[5]N[5])(NHH){1|C<4>}	102.6340	0.000	1	102.6340	0.000	1	102.6215	0.000	2	102.6215	0.000	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:2:4:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]N[5]C){1|B<6>}	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|B<6>,1|C<4>}	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5])(CH3){1|B<5>,1|C<4>,4|B<6>}	102.4950	0.000	1	102.4950	0.000	1	102.4950	0.000	1	102.4950	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-2:N[5]-2:C-4:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5])(N[5]C[5])(CC3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){3|C<3>}	N[5](C[5]N[5])(N[5]C[5])(CC3){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	103.4510	0.000	1	103.4510	0.000	1	103.4510	0.000	1	101.5546	0.421	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:3:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<4>,1|C<3>,1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<4>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	101.6450	0.402	4	101.5576	0.118	7	101.4088	0.133	13	101.5546	0.421	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:3:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<5>,1|C<3>,1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<5>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	101.1400	0.000	1	101.5576	0.118	7	101.4088	0.133	13	101.5546	0.421	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:3:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	101.5915	0.124	2	101.5576	0.118	7	101.4088	0.133	13	101.5546	0.421	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:3:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Re<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Re<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	101.6390	0.000	1	101.6390	0.000	1	101.4088	0.133	13	101.5546	0.421	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:3:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Fe<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	101.3930	0.182	2	101.3930	0.033	2	101.4088	0.133	13	101.5546	0.421	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:3:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Zn<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Zn<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	101.2900	0.000	1	101.2900	0.000	1	101.4088	0.133	13	101.5546	0.421	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:3:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Ir<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	100.8810	0.000	1	100.8810	0.000	1	101.4088	0.133	13	101.5546	0.421	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	2:2:4:	3:3:2:	C[5]-3:N[5]-3:	N[5]-2:N[5]-2:C-4:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Ru<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	100.8150	0.000	1	100.8150	0.000	1	101.4088	0.133	13	101.5546	0.421	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:H-1:	N[5](C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]S[5]N)(N[5]C[5])(H)	C[5](N[5]N[5])(S[5]C[5])(H)	N[5](C[5]S[5]H)(N[5]C[5]H){1|N<3>}	N[5](C[5]S[5]N)(N[5]C[5])(H){1|H<1>}	C[5](N[5]N[5])(S[5]C[5])(H){1|H<1>,1|N<3>}	109.3410	0.249	2	109.3410	0.062	2	109.1923	0.097	3	109.1923	0.097	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:H-1:	N[5](C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(S[5]C[5])(H)	N[5](C[5]S[5]H)(N[5]C[5]H){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|H<1>}	C[5](N[5]N[5])(S[5]C[5])(H){1|H<1>,1|S<1>}	108.8950	0.000	1	108.8950	0.000	1	109.1923	0.097	3	109.1923	0.097	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:N-2:	N[5](C[5]S[5]N)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(S[5]C[5])(NC)	N[5](C[5]S[5]N)(N[5]C[5]H){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|N<2>}	C[5](N[5]N[5])(S[5]C[5])(NC){1|H<1>,1|S<1>}	109.2585	0.315	4	109.2585	0.099	4	109.2585	0.099	4	109.3547	0.092	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:S-2:	N[5](C[5]S[5]S)(N[5]C[5]H)	N[5](C[5]S[5]N)(N[5]C[5])(H)	C[5](N[5]N[5])(S[5]C[5])(SC)	N[5](C[5]S[5]S)(N[5]C[5]H){1|N<3>}	N[5](C[5]S[5]N)(N[5]C[5])(H){1|S<2>}	C[5](N[5]N[5])(S[5]C[5])(SC){1|H<1>,1|N<3>}	109.6880	0.000	1	109.6880	0.000	1	109.4830	0.085	3	109.3547	0.092	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:S-2:	N[5](C[5]S[5]S)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(S[5]C[5])(SPt)	N[5](C[5]S[5]S)(N[5]C[5]H){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|S<2>}	C[5](N[5]N[5])(S[5]C[5])(SPt){1|H<1>,1|S<1>}	109.1500	0.000	1	109.1500	0.000	1	109.4830	0.085	3	109.3547	0.092	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:S-2:	N[5](C[5]S[5]S)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(S[5]C[5])(SZn)	N[5](C[5]S[5]S)(N[5]C[5]H){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|S<2>}	C[5](N[5]N[5])(S[5]C[5])(SZn){1|H<1>,1|S<1>}	109.6110	0.000	1	109.6110	0.000	1	109.4830	0.085	3	109.3547	0.092	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:N[5]-2:N-3:	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]O)(N[5]C[5])(H)	C[5](N[5]C[5])(N[5]N[5])(NOO)	N[5](C[5]N[5]N)(N[5]C[5]H){1|O<1>}	N[5](C[5]N[5]O)(N[5]C[5])(H){1|N<3>}	C[5](N[5]C[5])(N[5]N[5])(NOO){1|H<1>,1|O<1>}	99.8802	0.457	5	99.8802	0.209	5	99.8802	0.209	5	102.3606	18.113	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:N-3:	N[5](C[5]S[5]N)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(S[5]C[5])(NCH)	N[5](C[5]S[5]N)(N[5]C[5]H){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|N<3>}	C[5](N[5]N[5])(S[5]C[5])(NCH){1|H<1>,1|S<1>}	108.2650	0.000	1	108.2650	0.000	1	108.5615	0.176	2	102.3606	18.113	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:N-3:	N[5](C[5]S[5]N)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(S[5]C[5])(NHH)	N[5](C[5]S[5]N)(N[5]C[5]H){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|N<3>}	C[5](N[5]N[5])(S[5]C[5])(NHH){1|H<1>,1|S<1>}	108.8580	0.000	1	108.8580	0.000	1	108.5615	0.176	2	102.3606	18.113	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:O[5]-2:C-4:	N[5](C[5]O[5]C)(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(O[5]C[5])(CCHH)	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<4>}	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	103.0842	0.214	6	103.0842	0.046	6	103.2548	0.211	11	107.5008	9.466	33	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:O[5]-2:C-4:	N[5](C[5]O[5]C)(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(O[5]C[5])(CCHN)	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<4>}	C[5](N[5]N[5])(O[5]C[5])(CCHN){1|H<1>,1|S<1>}	103.2780	1.082	2	103.2780	1.170	2	103.2548	0.211	11	107.5008	9.466	33	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:O[5]-2:C-4:	N[5](C[5]O[5]C)(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(O[5]C[5])(CCHO)	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<4>}	C[5](N[5]N[5])(O[5]C[5])(CCHO){1|H<1>,1|S<1>}	103.4860	0.000	1	103.4860	0.000	1	103.2548	0.211	11	107.5008	9.466	33	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:O[5]-2:C-4:	N[5](C[5]O[5]C)(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H)	C[5](N[5]N[5])(O[5]C[5])(CHHO)	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<4>}	C[5](N[5]N[5])(O[5]C[5])(CHHO){1|H<1>,1|S<1>}	103.6280	0.447	2	103.6280	0.200	2	103.2548	0.211	11	107.5008	9.466	33	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	2:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-2:S[5]-2:C-4:	N[5](C[5]S[5]C)(N[5]C[5]H)	N[5](C[5]S[5]N)(N[5]C[5])(H)	C[5](N[5]N[5])(S[5]C[5])(CH3)	N[5](C[5]S[5]C)(N[5]C[5]H){1|N<2>}	N[5](C[5]S[5]N)(N[5]C[5])(H){1|C<4>}	C[5](N[5]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<2>}	109.6238	0.398	22	109.6238	0.158	22	109.6238	0.158	22	107.5008	9.466	33	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]Cu)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){1|Cu<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Cu<6>,1|H<1>}	C[5](N[5]C[5]Cu)(N[5]N[5])(H){2|H<1>}	102.2060	0.000	1	102.2060	0.000	1	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(H){2|H<1>}	103.1454	0.837	30	103.1454	0.701	30	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){1|H<1>,1|N<2>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(H){2|H<1>}	104.2804	0.650	13	103.9759	0.571	23	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(H){2|H<1>}	103.5800	0.725	10	103.9759	0.571	23	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]Ru)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){1|Ru<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Ru<6>,1|H<1>}	C[5](N[5]C[5]Ru)(N[5]N[5])(H){2|H<1>}	102.2175	0.261	2	102.2175	0.068	2	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(H){1|H<1>,1|N<3>}	103.8954	0.972	23	103.8954	0.945	23	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){1|N<2>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(H){1|H<1>,1|N<3>}	105.5255	0.028	2	104.4245	0.350	17	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){2|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(H){1|H<1>,1|N<2>}	105.2280	0.000	1	104.4245	0.350	17	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){2|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(H){1|H<1>,1|N<3>}	104.2098	0.380	14	104.4245	0.350	17	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){1|C<4>,1|S<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|H<1>,1|S<2>}	103.1280	0.202	2	103.1280	0.041	2	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){1|H<1>,1|S<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(H){1|H<1>,1|S<2>}	103.2890	0.000	1	103.2890	0.000	1	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|H<1>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(H){1|H<1>,1|S<1>}	103.2450	0.030	3	103.2450	0.001	3	103.6916	0.874	102	103.6916	0.874	102	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[5a]O[5])(N[5]C[5]H)	N[5](C[5]O[5]N)(N[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5])	N[5](C[5]C[5a]O[5])(N[5]C[5]H){1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]O[5]N)(N[5]C[5])(H){1|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|N<2>}	103.8290	0.000	1	103.8290	0.000	1	103.3010	0.558	2	104.7757	11.421	13	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[5a]O[5])(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H)	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5])	N[5](C[5]C[5a]O[5])(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	102.7730	0.000	1	102.7730	0.000	1	103.3010	0.558	2	104.7757	11.421	13	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	N[5](C[5]C[6a]O[5])(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]H){3|C<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5])(H){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|C<3>,3|H<1>}	105.7810	0.000	1	105.7810	0.000	1	103.6108	1.231	6	104.7757	11.421	13	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]H){1|S<1>,2|C<3>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<3>,1|N<2>,1|S<1>,3|H<1>}	103.2040	0.000	1	103.1768	0.125	5	103.6108	1.231	6	104.7757	11.421	13	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]H){1|S<1>,2|C<3>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	103.1700	0.409	4	103.1768	0.125	5	103.6108	1.231	6	104.7757	11.421	13	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-2:S[5]-2:	N[5](C[5]C[6a]S[5])(N[5]C[5]H)	N[5](C[5]S[5]N)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	N[5](C[5]C[6a]S[5])(N[5]C[5]H){1|N<3>,2|C<3>}	N[5](C[5]S[5]N)(N[5]C[5])(H){1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	110.5220	0.769	2	110.5220	0.592	2	110.3663	0.369	3	104.7757	11.421	13	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-2:S[5]-2:	N[5](C[5]C[6a]S[5])(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	N[5](C[5]C[6a]S[5])(N[5]C[5]H){1|S<1>,2|C<3>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	110.0550	0.000	1	110.0550	0.000	1	110.3663	0.369	3	104.7757	11.421	13	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:N-2:	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]Fe)(N[5]N[5])(NN)	N[5](C[5]N[5]N)(N[5]C[5]H){1|Fe<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Fe<6>,1|N<2>}	C[5](N[5]C[5]Fe)(N[5]N[5])(NN){2|H<1>}	101.3590	0.066	2	101.3590	0.004	2	101.3590	0.004	2	104.7757	11.421	13	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)	N[5](C[5]C[5]O)(N[5]C[5])(H)	C[5](C[5]C[5]N)(N[5]N[5])(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H){1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(H){1|N<2>,1|N<3>}	C[5](C[5]C[5]N)(N[5]N[5])(NHH){1|H<1>,1|O<1>}	105.2675	0.377	2	105.2675	0.142	2	105.1167	0.139	3	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)	N[5](C[5]C[5]O)(N[5]C[5])(H)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	N[5](C[5]C[5]N)(N[5]C[5]H){1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(H){1|N<2>,1|N<3>}	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|H<1>,1|O<1>}	104.8150	0.000	1	104.8150	0.000	1	105.1167	0.139	3	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(CNN)	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|H<1>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(CNN){1|C<3>,1|H<1>}	104.0425	0.231	4	104.0425	0.054	4	103.8776	0.650	34	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]Cd)(N[5]N[5])(COO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|Cd<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Cd<6>,1|C<3>}	C[5](N[5]C[5]Cd)(N[5]N[5])(COO){2|H<1>}	102.0620	0.000	1	102.0620	0.000	1	103.8776	0.650	34	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]Cu)(N[5]N[5])(COO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|Cu<5>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Cu<5>,1|C<3>}	C[5](N[5]C[5]Cu)(N[5]N[5])(COO){2|H<1>}	102.5590	0.119	2	102.5590	0.014	2	103.8776	0.650	34	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]Fe)(N[5]N[5])(CC[5]O)	N[5](C[5]N[5]C)(N[5]C[5]H){1|Fe<6>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[5]Fe)(N[5]N[5])(CC[5]O){1|H<1>,1|N<2>}	102.7930	0.000	1	102.7930	0.000	1	103.8776	0.650	34	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]Fe)(N[5]N[5])(COO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|Fe<6>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[5]Fe)(N[5]N[5])(COO){1|H<1>,1|N<3>}	102.5070	0.513	2	102.5070	0.264	2	103.8776	0.650	34	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(CNO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(CNO){1|H<1>,1|N<2>}	103.6590	0.000	1	103.5473	0.077	3	103.8776	0.650	34	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(CNO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(CNO){1|H<1>,1|N<3>}	103.4915	0.368	2	103.5473	0.077	3	103.8776	0.650	34	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(COO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(COO){1|H<1>,1|N<3>}	103.8236	0.338	9	103.8236	0.114	9	103.8776	0.650	34	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCH)	N[5](C[5]N[5]C)(N[5]C[5]H){2|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CCH){1|H<1>,1|N<3>}	104.6357	0.285	12	104.6357	0.081	12	103.8776	0.650	34	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(NHN)	N[5](C[5]N[5]N)(N[5]C[5]H){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)(N[5]C[5])(H){2|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(NHN){2|H<1>}	102.6950	0.256	2	102.6950	0.066	2	103.3901	0.278	15	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(NHH)	N[5](C[5]N[5]N)(N[5]C[5]H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<3>}	C[5](N[5]C[5]H)(N[5]N[5])(NHH){1|H<1>,1|N<3>}	103.5116	0.467	9	103.5116	0.218	9	103.3901	0.278	15	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(NHH)	N[5](C[5]N[5]N)(N[5]C[5]H){2|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){2|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(NHH){1|H<1>,1|N<3>}	103.7427	0.112	3	103.7427	0.013	3	103.3901	0.278	15	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(NHH)	N[5](C[5]N[5]N)(N[5]C[5]H){1|H<1>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|H<1>,1|N<3>}	C[5](N[5]C[5]H)(N[5]N[5])(NHH){1|H<1>,1|S<1>}	102.6300	0.000	1	102.6300	0.000	1	103.3901	0.278	15	103.8085	0.658	52	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]O)(N[5]C[5])(H)	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H){1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(H){1|C<4>,1|N<2>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|O<1>}	106.8985	0.364	2	106.8985	0.133	2	106.8985	0.133	2	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3)	N[5](C[5]N[5]C)(N[5]C[5]H){1|Cu<4>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3){1|C<3>,1|H<1>}	102.3475	0.360	2	102.2200	0.114	3	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3)	N[5](C[5]N[5]C)(N[5]C[5]H){1|Cu<4>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Cu<4>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3){1|C<3>,1|H<1>}	101.9650	0.000	1	102.2200	0.114	3	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[5](N[5]C[5]Fe)(N[5]N[5])(CCHH)	N[5](C[5]N[5]C)(N[5]C[5]H){1|Fe<6>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]C[5]Fe)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	106.8480	0.000	1	106.8480	0.000	1	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5])(CClHH)	N[5](C[5]N[5]C)(N[5]C[5]H){2|C<4>}	N[5](C[5]N[5]C)(N[5]C[5])(H){2|C<4>}	C[5](N[5]C[5]C)(N[5]N[5])(CClHH){1|C<4>,1|H<1>}	104.0370	0.113	3	104.0370	0.013	3	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH)	N[5](C[5]N[5]C)(N[5]C[5]H){1|Co<6>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|Co<6>,1|C<4>}	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<2>}	103.1310	0.000	1	103.1310	0.000	1	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(CCHH)	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(CCHH){1|H<1>,1|N<3>}	104.9550	0.000	1	104.9550	0.000	1	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH)	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<3>}	103.9025	0.159	2	103.9025	0.025	2	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(CH3){1|H<1>,1|N<2>}	104.8150	0.000	1	104.8150	0.000	1	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])(CHHO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(CHHO){1|H<1>,1|N<2>}	104.6200	0.000	1	104.6200	0.000	1	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]Ni)(N[5]N[5])(CCHH)	N[5](C[5]N[5]C)(N[5]C[5]H){1|Ni<6>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|Ni<6>,1|C<4>}	C[5](N[5]C[5]Ni)(N[5]N[5])(CCHH){1|H<1>,1|N<3>}	102.5010	0.000	1	102.5010	0.000	1	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<4>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<4>}	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|H<1>,1|S<1>}	104.6055	0.343	2	104.6055	0.118	2	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5])(CHHS)	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<4>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<4>}	C[5](N[5]C[5]C)(N[5]N[5])(CHHS){1|H<1>,1|S<1>}	103.8830	0.000	1	103.8830	0.000	1	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCHH)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(CCHH){1|H<1>,1|S<1>}	104.0610	0.285	12	104.0610	0.081	12	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCHO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CCHO){1|H<1>,1|S<1>}	103.2130	0.000	1	103.2130	0.000	1	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|S<1>}	103.8875	0.301	17	103.9866	0.223	19	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|S<1>}	104.1260	0.000	1	103.9866	0.223	19	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<4>,1|S<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<4>}	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|S<2>}	105.5320	0.000	1	103.9866	0.223	19	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CHHN)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(CHHN){1|H<1>,1|S<1>}	103.6410	0.000	1	103.8133	0.027	3	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CHHN)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CHHN){1|H<1>,1|S<1>}	103.8995	0.098	2	103.8133	0.027	3	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|H<1>,1|S<1>}	103.7184	0.312	5	103.7184	0.098	5	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5])(CN[5]HH)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CN[5]HH){1|H<1>,1|S<1>}	103.4920	0.000	1	103.4920	0.000	1	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH){1|H<1>,1|S<1>,2|C<3>}	103.8900	0.594	3	103.8900	0.353	3	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO)	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO){1|H<1>,1|S<1>,2|C<3>}	103.6595	0.163	2	103.6595	0.027	2	103.9166	0.502	63	104.0083	0.757	65	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,2|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(N[5]N[5]){1|H<1>,1|N<3>,3|N<2>}	103.8010	0.000	1	103.8010	0.000	1	104.0940	0.133	23	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]N[5])(N[5]C[5]H){1|H<1>,1|N<3>,2|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	103.4017	0.334	3	103.4017	0.112	3	104.0940	0.133	23	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5]N[5])(N[5]C[5]H){1|N<2>,3|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|H<1>,3|N<3>}	104.2188	0.220	19	104.2188	0.048	19	104.0940	0.133	23	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[5](C[5a]N[5a]2)(N[5]C[5]Co)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|Co<6>,1|C<3>,2|N<2>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Co<6>,1|N<3>,2|C<3>}	C[5](C[5a]N[5a]2)(N[5]C[5]Co)(N[5]N[5]){1|H<1>,1|N<3>,2|C<3>}	102.9220	0.083	2	102.9220	0.007	2	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[5](C[5a]N[5a]2)(N[5]C[5]Zn)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|Zn<4>,1|C<3>,2|N<2>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Zn<4>,1|N<3>,2|C<3>}	C[5](C[5a]N[5a]2)(N[5]C[5]Zn)(N[5]N[5]){1|H<1>,1|N<3>,2|C<3>}	103.3310	0.000	1	103.3310	0.000	1	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	104.1030	0.000	1	104.1030	0.000	1	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	103.7740	0.000	1	103.7110	0.013	3	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,2|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	103.5770	0.000	1	103.7110	0.013	3	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,2|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|H<1>,2|N<2>,2|N<3>}	103.7820	0.000	1	103.7110	0.013	3	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|N<2>,2|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|C<3>,2|H<1>,2|N<3>}	104.6740	0.000	1	104.6000	0.005	3	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|N<3>,2|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<2>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|H<1>,1|N<2>,1|O<2>,2|N<3>}	104.5330	0.000	1	104.6000	0.005	3	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,3|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	104.5930	0.000	1	104.6000	0.005	3	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|H<1>,1|N<3>,2|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]N[5]){1|C<3>,2|H<1>,2|N<2>}	103.9070	0.000	1	103.9070	0.000	1	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[5a]N[5a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|N<2>,3|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[5a]N[5a]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	104.5020	0.129	3	104.5020	0.017	3	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	103.9210	0.464	2	103.9210	0.215	2	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,1|O<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	103.9650	0.000	1	103.9650	0.000	1	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|O<2>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|H<1>,4|C<3>}	103.9593	0.205	3	103.9593	0.042	3	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,1|S<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	103.9360	0.000	1	103.9360	0.000	1	103.9640	0.262	21	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Fe<6>,1|N<3>,2|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|Fe<6>,1|C<3>,2|N<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]){2|H<1>,3|C<3>}	102.4020	0.000	1	102.4020	0.000	1	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Zn<4>,1|N<3>,2|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|Zn<4>,1|C<3>,2|N<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]){2|H<1>,3|C<3>}	101.8440	0.000	1	101.8440	0.000	1	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cd<5>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Cd<5>,1|N<2>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5]){2|H<1>,3|C<3>}	102.1650	0.000	1	102.4040	0.114	2	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cd<6>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Cd<6>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5]){2|H<1>,3|C<3>}	102.6430	0.000	1	102.4040	0.114	2	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Zn<4>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Zn<4>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]){2|H<1>,3|C<3>}	101.8315	0.015	2	101.8473	0.001	3	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Zn<6>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Zn<6>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]){2|H<1>,3|C<3>}	101.8790	0.000	1	101.8473	0.001	3	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Co<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Co<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	102.6562	0.673	5	102.6562	0.454	5	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Cu<4>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	101.7310	0.310	4	101.8435	0.275	10	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Cu<5>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	101.9185	0.648	6	101.8435	0.275	10	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Fe<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	101.5750	0.000	1	101.5750	0.000	1	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Ni<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	102.2225	0.111	2	102.2225	0.012	2	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	104.3310	0.000	1	104.3580	0.001	2	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	104.3850	0.000	1	104.3580	0.001	2	102.2610	0.652	27	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,3|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|N<3>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){2|H<1>,5|C<3>}	104.9190	0.000	1	104.9190	0.000	1	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|Mo<6>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Mo<6>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]){1|O<2>,2|H<1>,3|C<3>}	103.8400	0.000	1	103.8400	0.000	1	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<3>,1|N<3>,2|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	104.6580	0.110	2	104.6580	0.012	2	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|H<1>,3|C<3>}	104.4420	0.000	1	104.4420	0.000	1	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	104.6980	0.694	2	104.4603	0.411	3	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,1|S<2>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	103.9850	0.000	1	104.4603	0.411	3	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|Cu<3>,1|S<3>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|Cu<3>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5]){1|S<3>,2|C<3>,3|H<1>}	102.2860	0.000	1	102.2860	0.000	1	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	103.5660	0.256	2	103.5660	0.066	2	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Cl<1>,1|S<1>,2|C<3>,2|H<1>}	103.6560	0.352	2	104.3882	0.287	20	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	103.8405	0.135	4	104.3882	0.287	20	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	104.5720	0.285	7	104.3882	0.287	20	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|S<1>,2|H<1>}	104.3640	0.000	1	104.3882	0.287	20	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	104.9850	0.668	2	104.3882	0.287	20	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	104.6880	0.502	4	104.3882	0.287	20	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	104.0425	0.312	2	104.1024	0.036	11	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	104.1157	0.177	9	104.1024	0.036	11	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|H<1>,4|C<3>}	104.0155	0.057	2	104.0155	0.003	2	104.2327	0.310	44	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C[6]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](N[5]C[5]Cu)(C[6]N[6]2)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cu<4>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Cu<4>,1|C<3>}	C[5](N[5]C[5]Cu)(C[6]N[6]2)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	102.1150	0.000	1	102.1150	0.000	1	102.1150	0.000	1	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,3|C<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	103.8930	0.000	1	103.8930	0.000	1	104.2856	0.512	12	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<1>,3|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cl<1>,1|S<1>,2|H<1>,4|C<3>}	103.8410	0.161	3	104.3213	0.547	11	104.2856	0.512	12	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<1>,3|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<1>,2|H<1>,4|C<3>}	105.2000	0.057	2	104.3213	0.547	11	104.2856	0.512	12	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<1>,3|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	103.9912	0.461	5	104.3213	0.547	11	104.2856	0.512	12	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<2>,3|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	105.6550	0.000	1	104.3213	0.547	11	104.2856	0.512	12	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]N[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5a]N[5])(N[5]C[5]H){1|C<3>,1|N<2>,1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|N<3>}	C[5](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|H<1>,1|S<1>,3|C<3>}	103.1920	0.000	1	103.1920	0.000	1	103.1920	0.000	1	103.7320	0.971	129	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[5]O)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(H){1|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]H)(CC[6a]CH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]H)(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>}	103.8730	0.000	1	103.8730	0.000	1	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<2>}	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>}	104.0620	0.122	3	104.0620	0.015	3	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<2>}	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	103.9244	0.324	5	104.0453	0.122	7	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	104.3475	0.237	2	104.0453	0.122	7	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<2>}	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	103.9892	0.407	9	103.9593	0.156	10	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	103.6900	0.000	1	103.9593	0.156	10	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(CC[5a]HH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(CC[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	103.9450	0.000	1	103.9450	0.000	1	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(CC[6a]CH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	104.1160	0.000	1	104.1160	0.000	1	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	103.8390	0.413	6	103.8390	0.171	6	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	103.8835	0.348	4	103.8835	0.121	4	103.9575	0.113	33	104.0443	0.365	34	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	4:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C-4:N[5]-2:O[5]-2:	N[5](C[5]O[5]C)(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<4>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	103.2971	0.155	7	103.2971	0.024	7	103.3244	0.030	9	104.0489	5.275	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	4:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C-4:N[5]-2:O[5]-2:	N[5](C[5]O[5]C)(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H)	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5])	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<4>}	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	103.4200	0.269	2	103.4200	0.072	2	103.3244	0.030	9	104.0489	5.275	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	4:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C-4:N[5]-2:S[5]-2:	N[5](C[5]S[5]C)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H)	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5])	N[5](C[5]S[5]C)(N[5]C[5]H){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|C<4>}	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5]){1|H<1>,1|S<1>}	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	104.0489	5.275	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	4:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-4:N[5]-2:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)	N[5](C[5]C[5]O)(N[5]C[5])(H)	C[5](C[5]C[5]CC)(N[5]N[5])(NHN)	N[5](C[5]C[5]N)(N[5]C[5]H){1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(H){1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]N[5])(NHN){1|H<1>,1|O<1>}	105.5430	0.000	1	105.5430	0.000	1	105.5430	0.000	1	105.5430	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	4:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5,5]-4:N[5]-2:C-4:	N[5](C[5]C[5,5]C)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(N[5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	N[5](C[5]C[5,5]C)(N[5]C[5]H){1|C<3>,1|O<1>,1|O<2>}	N[5](C[5]C[5,5]O)(N[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	110.5980	21.177	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	4:2:4:	C[5]-3:N[5]-3:	P[5]-3:N[5]-2:H-1:	C[5]-4:N[5]-2:Si-4:	N[5](C[5]C[5]Si)(N[5]P[5]H)	N[5](P[5]C[3x3,4,3x5,14x6]C[5])(N[5]C[5])(H)	C[5](C[5]P[5]SiH)(N[5]N[5])(SiC3)	N[5](C[5]C[5]Si)(N[5]P[5]H){1|Si<4>,1|C<5>,1|H<1>}	N[5](P[5]C[3x3,4,3x5,14x6]C[5])(N[5]C[5])(H){2|Si<4>,1|H<1>,4|B<6>}	C[5](C[5]P[5]SiH)(N[5]N[5])(SiC3){1|C<5>,1|H<1>}	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	110.5980	21.177	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[3x6]N[5])(N[5]C[5]H){1|S<1>,4|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<4>}	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,3|C<4>,7|H<1>}	104.5593	0.243	3	104.5593	0.059	3	104.7584	0.112	5	104.7584	0.112	5	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:1:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[3x6]N[5])(N[5]C[5]H){1|C<3>,1|S<1>,3|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|C<3>,3|C<4>,7|H<1>}	105.0570	0.177	2	105.0570	0.031	2	104.7584	0.112	5	104.7584	0.112	5	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]N[5]C){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){3|C<3>}	102.4210	0.000	1	102.4210	0.000	1	102.4210	0.000	1	102.4210	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]S[5])	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[5](C[5]C[5]S[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]S[5]){5|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){2|H<1>,4|C<3>}	C[5](C[5]C[5]S[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,5|C<3>}	111.0380	0.000	1	111.0380	0.000	1	111.0380	0.000	1	111.0380	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	2:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:N-3:	N[5]-2:O[5]-2:C-3:	N[5](C[5]O[5]C)(N[5]C[5]N)	N[5](C[5]O[5]N)(N[5]C[5])(NHH)	C[5](N[5]N[5])(O[5]C[5])(CNN)	N[5](C[5]O[5]C)(N[5]C[5]N){1|N<3>}	N[5](C[5]O[5]N)(N[5]C[5])(NHH){1|C<3>}	C[5](N[5]N[5])(O[5]C[5])(CNN){2|N<3>}	104.0645	0.207	2	104.0645	0.043	2	104.0645	0.043	2	104.0645	0.043	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	2:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	N[5]-2:S[5]-2:C-4:	N[5](C[5]S[5]C)(N[5]C[5]C)	N[5](C[5]S[5]S)(N[5]C[5])(CCO)	C[5](N[5]N[5])(S[5]C[5])(CH3)	N[5](C[5]S[5]C)(N[5]C[5]C){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(CCO){1|C<4>}	C[5](N[5]N[5])(S[5]C[5])(CH3){1|C<3>,1|S<1>}	110.2045	0.161	2	110.2045	0.026	2	110.2045	0.026	2	110.2045	0.026	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C[5](N[5]C[5]Co)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Co<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCC){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(N[5]N[5])(H){1|C<3>,1|H<1>}	102.2913	0.352	4	102.2913	0.124	4	102.3752	0.198	9	102.4538	0.238	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C[5](N[5]C[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCC){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(H){1|C<3>,1|H<1>}	103.0650	0.000	1	103.0650	0.000	1	102.3752	0.198	9	102.4538	0.238	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C[5](N[5]C[5]Ni)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ni<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCC){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(N[5]N[5])(H){1|C<3>,1|H<1>}	102.0485	0.313	2	102.0485	0.098	2	102.3752	0.198	9	102.4538	0.238	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CC[5a]2)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(N[5]C[5])(CC[5a]2){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<3>}	102.1040	0.000	1	102.1040	0.000	1	102.3752	0.198	9	102.4538	0.238	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CPdN)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<2>}	N[5](C[5]N[5]S)(N[5]C[5])(CPdN){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|C<3>,1|S<2>}	102.9460	0.000	1	102.9460	0.000	1	102.3752	0.198	9	102.4538	0.238	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:N-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]N)	N[5](C[5]N[5]H)(N[5]C[5])(NHH)	C[5](N[5]C[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]N){2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(NHH){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(H){1|H<1>,1|N<3>}	103.1610	0.000	1	103.1610	0.000	1	103.1610	0.000	1	102.4538	0.238	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	N[5]-3:N[5]-2:N-3:	N[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]N[5]N)(N[5]C[5])(CNS)	C[5](N[5]C[5]H)(N[5]N[5])(NHH)	N[5](C[5]N[5]N)(N[5]C[5]C){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(CNS){1|H<1>,1|N<3>}	C[5](N[5]C[5]H)(N[5]N[5])(NHH){1|C<3>,1|N<3>}	103.2770	0.107	2	103.2770	0.012	2	103.2770	0.012	2	103.2770	0.012	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	C[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CNS)	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(CNS){1|C<4>,1|N<2>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	106.9380	0.293	7	106.9380	0.086	7	106.9914	0.076	9	106.9914	0.076	9	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	C[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CSS)	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(CSS){1|C<4>,1|N<2>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	107.1785	0.060	2	107.1785	0.004	2	106.9914	0.076	9	106.9914	0.076	9	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:3:	4:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-3:	C[5]-4:N[5]-2:O-2:	N[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]C[5])(COO)	C[5](C[5]C[5]CC)(N[5]N[5])(OC)	N[5](C[5]C[5]O)(N[5]C[5]C){3|C<3>}	N[5](C[5]C[5]C)(N[5]C[5])(COO){1|O<2>,2|C<3>}	C[5](C[5]C[5]CC)(N[5]N[5])(OC){2|C<3>}	105.4900	0.000	1	105.4900	0.000	1	105.4900	0.000	1	105.4900	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:B-4:	N[5]-2:S[5]-2:H-1:	N[5](C[5]S[5]H)(N[5]C[5]B)	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H)	C[5](N[5]N[5])(S[5]C[5])(H)	N[5](C[5]S[5]H)(N[5]C[5]B){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H){1|H<1>}	C[5](N[5]N[5])(S[5]C[5])(H){1|B<4>,1|S<1>}	110.8683	0.126	3	110.8683	0.016	3	110.8683	0.016	3	110.5547	0.404	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-2:S[5]-2:H-1:	N[5](C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]S[5]S)(N[5]C[5])(CCHH)	C[5](N[5]N[5])(S[5]C[5])(H)	N[5](C[5]S[5]H)(N[5]C[5]C){1|S<2>}	N[5](C[5]S[5]S)(N[5]C[5])(CCHH){1|H<1>}	C[5](N[5]N[5])(S[5]C[5])(H){1|C<4>,1|S<2>}	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	110.5547	0.404	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-2:S[5]-2:S-2:	N[5](C[5]S[5]S)(N[5]C[5]C)	N[5](C[5]S[5]S)(N[5]C[5])(CH3)	C[5](N[5]N[5])(S[5]C[5])(SC)	N[5](C[5]S[5]S)(N[5]C[5]C){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(CH3){1|S<2>}	C[5](N[5]N[5])(S[5]C[5])(SC){1|C<4>,1|S<1>}	109.4670	0.264	2	109.4670	0.070	2	109.4670	0.070	2	109.4670	0.070	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-2:S[5]-2:N-3:	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]S[5]H)(N[5]C[5])(CH3)	C[5](N[5]N[5])(S[5]C[5])(NC[6a]H)	N[5](C[5]S[5]N)(N[5]C[5]C){1|H<1>}	N[5](C[5]S[5]H)(N[5]C[5])(CH3){1|N<3>}	C[5](N[5]N[5])(S[5]C[5])(NC[6a]H){1|C<4>,1|H<1>}	108.2300	0.109	2	108.2300	0.012	2	108.2300	0.012	2	108.2300	0.012	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:B-4:	N[5]-2:S[5]-2:C-4:	N[5](C[5]S[5]C)(N[5]C[5]B)	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H)	C[5](N[5]N[5])(S[5]C[5])(CH3)	N[5](C[5]S[5]C)(N[5]C[5]B){1|S<1>}	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H){1|C<4>}	C[5](N[5]N[5])(S[5]C[5])(CH3){1|B<4>,1|S<1>}	111.2728	0.238	4	111.0935	0.068	11	111.0935	0.068	11	110.4459	5.093	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:B-4:	N[5]-2:S[5]-2:C-4:	N[5](C[5]S[5]C)(N[5]C[5]B)	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H)	C[5](N[5]N[5])(S[5]C[5])(CH3)	N[5](C[5]S[5]C)(N[5]C[5]B){1|S<2>}	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H){1|C<4>}	C[5](N[5]N[5])(S[5]C[5])(CH3){1|B<4>,1|S<2>}	110.9910	0.226	7	111.0935	0.068	11	111.0935	0.068	11	110.4459	5.093	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-2:O[5]-2:C-4:	N[5](C[5]O[5]C)(N[5]C[5]C)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	C[5](N[5]N[5])(O[5]C[5])(CHHS)	N[5](C[5]O[5]C)(N[5]C[5]C){1|S<1>}	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	C[5](N[5]N[5])(O[5]C[5])(CHHS){1|C<4>,1|S<1>}	103.3230	0.000	1	103.3230	0.000	1	103.3230	0.000	1	110.4459	5.093	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:B-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]B)	N[5](C[5]N[5]H)(N[5]C[5])(BC[6a]3)	C[5](N[5]C[6a]C[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]B){1|C<3>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(BC[6a]3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(H){1|B<4>,1|H<1>,2|C<3>}	104.9780	0.000	1	104.9780	0.000	1	103.9593	0.787	3	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:B-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]B)	N[5](C[5]N[5]Ni)(N[5]C[5])(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]B){1|Ni<4>,1|C<3>}	N[5](C[5]N[5]Ni)(N[5]C[5])(BN[5]2H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(H){1|Ni<4>,1|B<4>,2|C<3>}	103.4500	0.130	2	103.4500	0.017	2	103.9593	0.787	3	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]B)(N[5]C[5])(CH3)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|B<4>,1|C<4>}	N[5](C[5]N[5]B)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|B<4>,1|C<4>}	103.5470	0.000	1	103.5470	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Fe)(N[5]C[5])(CCHH)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Fe<6>,1|N<2>}	N[5](C[5]N[5]Fe)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(H){1|Fe<6>,1|C<4>}	104.1235	0.695	2	104.1235	0.483	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Fe)(N[5]C[5])(CH3)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Fe<6>,1|N<2>}	N[5](C[5]N[5]Fe)(N[5]C[5])(CH3){1|H<1>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(H){1|Fe<6>,1|C<4>}	102.5140	0.912	2	102.5140	0.832	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCCH)	C[5](N[5]C[6a]C[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<3>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	104.0603	0.336	3	104.0603	0.113	3	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]2)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	C[5](N[5]C[5]2)(N[5]N[5])(H){1|Fe<10>,1|H<1>,3|C<4>}	103.7060	0.000	1	103.7060	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.8920	0.000	1	103.8920	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]Cd)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cd<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cd<6>,1|H<1>}	C[5](N[5]C[5]Cd)(N[5]N[5])(H){1|C<4>,1|H<1>}	104.3350	4.535	2	104.3350	20.570	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]Cu)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cu<6>,1|H<1>}	C[5](N[5]C[5]Cu)(N[5]N[5])(H){1|C<4>,1|H<1>}	102.3570	0.518	4	102.3570	0.268	4	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.3558	0.369	4	103.3558	0.136	4	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]Mn)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Mn<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(N[5]N[5])(H){1|C<4>,1|H<1>}	102.2255	0.028	2	102.2255	0.001	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.9050	0.076	4	103.9050	0.006	4	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]Ni)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ni<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(N[5]N[5])(H){1|C<4>,1|H<1>}	102.2200	0.262	2	102.2200	0.068	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]Ru)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ru<9>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ru<9>,1|H<1>}	C[5](N[5]C[5]Ru)(N[5]N[5])(H){1|C<4>,1|H<1>}	102.6290	0.024	2	102.6290	0.001	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[5]Zn)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Zn<4>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(N[5]N[5])(H){1|C<4>,1|H<1>}	102.4570	0.028	2	102.4570	0.001	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[6a]C[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<3>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	104.0590	0.000	1	104.0590	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.2985	0.339	4	103.2985	0.115	4	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH)	C[5](N[5]C[5]Zn)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Zn<4>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(N[5]N[5])(H){1|C<4>,1|H<1>}	101.9700	0.000	1	101.9700	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C[5](N[5]C[5]2)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]2)(N[5]N[5])(H){1|Fe<10>,1|H<1>,3|C<4>}	104.5740	0.000	1	104.5740	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C[5](N[5]C[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.8290	0.000	1	103.8290	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.8122	0.195	5	103.8122	0.038	5	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	104.8280	0.000	1	104.8280	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C[5](N[5]C[5]Ru)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ru<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|Ru<6>,1|H<1>}	C[5](N[5]C[5]Ru)(N[5]N[5])(H){1|C<4>,1|H<1>}	102.7140	0.104	3	102.7140	0.011	3	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<3>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	103.7560	0.000	1	103.7560	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.2205	0.018	2	103.2205	0.000	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Ir)(N[5]C[5])(CH3)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Ir<6>,1|C<4>}	103.2933	0.270	4	103.2933	0.073	4	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Mg)(N[5]C[5])(CH3)	C[5](N[5]C[5]Mg)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){2|Mg<4>}	N[5](C[5]N[5]Mg)(N[5]C[5])(CH3){1|Mg<4>,1|H<1>}	C[5](N[5]C[5]Mg)(N[5]N[5])(H){1|Mg<4>,1|C<4>}	101.0610	0.000	1	101.0610	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Ni)(N[5]C[5])(CCCH)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(N[5]C[5])(CCCH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Ni<4>,1|C<4>}	102.8060	0.000	1	102.8060	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]P)(N[5]C[5])(CCHH)	C[5](N[5]C[5]Cu)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<4>,1|P<4>}	N[5](C[5]N[5]P)(N[5]C[5])(CCHH){1|Cu<4>,1|H<1>}	C[5](N[5]C[5]Cu)(N[5]N[5])(H){1|C<4>,1|P<4>}	102.5840	0.000	1	102.5840	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	103.2958	0.464	18	103.2958	0.216	18	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	102.9227	0.084	3	102.9227	0.007	3	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|N<3>}	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Pd<4>,1|C<4>,2|C<3>}	105.1420	0.000	1	105.1420	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	103.6860	0.268	3	103.6860	0.072	3	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|N<3>}	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Pd<4>,1|C<4>,2|C<3>}	105.2800	0.000	1	105.2800	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CN[5]HH)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	103.1790	0.000	1	103.1790	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pt<4>,1|C<4>}	103.2930	0.000	1	103.2930	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pt)(N[5]C[5])(CN[5]HH)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pt<4>,1|C<4>}	102.6735	0.640	2	102.6735	0.410	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CCHH)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Rh<6>,1|N<3>}	N[5](C[5]N[5]Rh)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Rh<6>,3|C<4>}	102.8400	0.000	1	102.8400	0.000	1	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Rh<6>,1|C<4>}	102.3440	0.482	2	102.3440	0.233	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Rh<5>,1|N<3>}	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Rh<5>,1|C<4>,2|C<3>}	104.1347	0.308	4	104.3726	0.565	13	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Rh<6>,1|N<3>}	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Rh<6>,1|C<4>,2|C<3>}	104.6301	0.803	8	104.3726	0.565	13	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Rh<6>,1|N<3>}	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Rh<6>,3|C<4>}	103.2640	0.000	1	104.3726	0.565	13	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Ru)(N[5]C[5])(CH3)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ru<9>,1|N<3>}	N[5](C[5]N[5]Ru)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Ru<9>,1|C<4>,2|C<3>}	103.9935	0.465	2	103.9935	0.216	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	C[5](N[5]C[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(H){1|C<4>,1|S<1>}	104.3335	0.030	2	104.3335	0.001	2	103.4376	0.894	109	103.4516	0.891	112	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|S<1>,2|C<3>}	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|O<2>,1|S<1>,3|C<3>}	103.9430	0.000	1	103.9430	0.000	1	103.9430	0.000	1	105.1893	11.562	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-2:P[5]-2:	N[5](C[5]C[6a]P[5])(N[5]C[5]C)	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5])(P[5]C[5])	N[5](C[5]C[6a]P[5])(N[5]C[5]C){3|C<3>}	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(P[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	105.1893	11.562	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:N-2:	N[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]N[5]N)(N[5]C[5])(CCHH)	C[5](N[5]C[5]H)(N[5]N[5])(NN)	N[5](C[5]N[5]N)(N[5]C[5]C){1|H<1>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	C[5](N[5]C[5]H)(N[5]N[5])(NN){1|C<4>,1|N<2>}	102.5880	0.000	1	102.5880	0.000	1	102.5880	0.000	1	105.1893	11.562	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:3:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]N)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	N[5](C[5]C[5]N)(N[5]C[5]C){1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|N<2>,1|N<3>}	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|C<4>,1|O<1>}	105.6310	0.000	1	105.6310	0.000	1	105.6310	0.000	1	105.6310	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:B-4:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]B)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H)	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]B){1|C<4>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H){2|C<4>}	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<1>}	104.9080	0.417	6	105.0346	0.096	20	105.0799	0.092	25	105.2240	0.817	32	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:B-4:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]B)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H)	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]B){1|C<4>,1|S<2>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H){2|C<4>}	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<2>}	105.0889	0.251	14	105.0346	0.096	20	105.0799	0.092	25	105.2240	0.817	32	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:B-4:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]B)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]B){1|C<3>,1|S<2>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|S<2>,2|C<3>}	105.2230	0.211	3	105.2230	0.045	3	105.0799	0.092	25	105.2240	0.817	32	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:B-4:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]B)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]HH)	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]B){1|C<4>,1|S<2>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]HH){2|C<4>}	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<2>}	105.3180	0.304	2	105.3180	0.092	2	105.0799	0.092	25	105.2240	0.817	32	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	106.1780	0.344	2	106.1780	0.118	2	106.6144	1.810	5	105.2240	0.817	32	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	107.9395	0.265	2	107.9395	0.070	2	106.6144	1.810	5	105.2240	0.817	32	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C[5](C[5]C[5]C)(N[5]N[5])(CCHH)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<4>,1|O<1>}	104.8370	0.000	1	104.8370	0.000	1	106.6144	1.810	5	105.2240	0.817	32	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH)	C[5](N[5]C[5]Ir)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]C){1|Ir<6>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]C[5]Ir)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	103.3550	0.000	1	103.3550	0.000	1	103.5495	0.076	2	105.2240	0.817	32	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|C<4>,1|S<1>}	103.7440	0.000	1	103.7440	0.000	1	103.5495	0.076	2	105.2240	0.817	32	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]N[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	104.8002	1.334	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|H<1>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	102.1210	0.000	1	102.1210	0.000	1	104.1444	1.377	5	104.8002	1.334	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	104.8070	0.000	1	104.8070	0.000	1	104.1444	1.377	5	104.8002	1.334	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	104.4740	0.000	1	104.4740	0.000	1	104.1444	1.377	5	104.8002	1.334	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|N<2>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	104.6600	0.580	2	104.6600	0.336	2	104.1444	1.377	5	104.8002	1.334	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CC3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[5]N[5]H)(N[5]C[5])(CC3){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,3|H<1>,4|C<3>}	105.0090	0.314	2	105.0090	0.099	2	104.7903	0.105	10	104.8002	1.334	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CC3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	N[5](C[5]N[5]Pd)(N[5]C[5])(CC3){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	104.7482	0.423	5	104.7482	0.179	5	104.7903	0.105	10	104.8002	1.334	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Rh<4>,3|C<3>}	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Rh<4>,1|C<4>,2|H<1>,4|C<3>}	104.7420	0.038	2	104.7147	0.003	3	104.7903	0.105	10	104.8002	1.334	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Rh<5>,3|C<3>}	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Rh<5>,1|C<4>,2|H<1>,4|C<3>}	104.6600	0.000	1	104.7147	0.003	3	104.7903	0.105	10	104.8002	1.334	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CHHN)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(CHHN){1|C<4>,1|N<2>}	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5]){1|C<4>,1|S<1>}	104.2570	0.034	2	104.2570	0.001	2	104.5685	0.097	6	104.5685	0.097	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	3:4:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:N[5]-2:	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5]){1|C<4>,1|S<1>}	104.7242	0.252	4	104.7242	0.064	4	104.5685	0.097	6	104.5685	0.097	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C-4:N[5]-2:O[5]-2:	N[5](C[5]O[5]C)(N[5]C[5]C)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	N[5](C[5]O[5]C)(N[5]C[5]C){1|S<1>}	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|C<4>,1|S<1>}	103.5240	0.000	1	103.5240	0.000	1	103.5240	0.000	1	103.7850	0.095	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[3x6]-4:N[5]-2:O[5]-2:	N[5](C[5]C[3x6]O[5])(N[5]C[5]C)	N[5](C[5]O[5]S)(N[5]C[5])(CHHN)	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[3x6]O[5])(N[5]C[5]C){1|S<1>,3|C<4>}	N[5](C[5]O[5]S)(N[5]C[5])(CHHN){1|C<4>}	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5]){1|S<1>,4|C<4>,6|H<1>}	103.7795	0.380	2	103.7795	0.144	2	103.8720	0.098	3	103.7850	0.095	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:2:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[3x6]-4:N[5]-2:O[5]-2:	N[5](C[5]C[3x6]O[5])(N[5]C[5]C)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[3x6]O[5])(N[5]C[5]C){1|S<1>,3|C<4>}	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5]){1|S<1>,4|C<4>,6|H<1>}	104.0570	0.000	1	104.0570	0.000	1	103.8720	0.098	3	103.7850	0.095	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5,6]-4:N[5]-2:C-4:	N[5](C[5]C[5,6]C)(N[5]C[5]C)	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3)	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3)	N[5](C[5]C[5,6]C)(N[5]C[5]C){1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3){1|C<4>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3){1|C<4>,1|O<1>,4|C<3>}	107.7215	0.063	2	107.7215	0.004	2	107.7215	0.004	2	108.0073	0.374	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CC3)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>}	N[5](C[5]C[5]O)(N[5]C[5])(CC3){1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	107.6950	0.000	1	107.6950	0.000	1	108.1216	0.503	5	108.0073	0.374	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	107.8030	0.000	2	107.8030	0.000	2	108.1216	0.503	5	108.0073	0.374	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:2:4:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	108.6535	1.030	2	108.6535	1.061	2	108.1216	0.503	5	108.0073	0.374	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[3x6]N[5])(N[5]C[5]C){1|S<1>,4|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){2|C<4>}	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	105.1522	0.257	5	105.1522	0.066	5	105.1453	0.050	12	105.1453	0.050	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](C[3x6]C[6,6]3)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[3x6]N[5])(N[5]C[5]C){1|N<2>,1|S<1>,3|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	C[5](C[3x6]C[6,6]3)(N[5]C[5]N)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	105.3130	0.242	3	105.3130	0.058	3	105.1453	0.050	12	105.1453	0.050	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:2:4:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[3x6]N[5])(N[5]C[5]C){1|C<3>,1|S<1>,3|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|C<3>,4|C<4>,6|H<1>}	105.0110	0.073	4	105.0110	0.005	4	105.1453	0.050	12	105.1453	0.050	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	2:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-2:S[5]-2:S-1:	N[5](N[5]C[6a]C[5])(C[5]S[5]S)	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5])	C[5](N[5]N[5])(S[5]C[5])(S)	N[5](N[5]C[6a]C[5])(C[5]S[5]S){1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[5](N[5]N[5])(S[5]C[5])(S){1|C<3>,1|S<1>}	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	107.6475	16.779	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	2:2:1:	N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	N[5]-2:N[5]-2:S-1:	N[5](N[5]C[6a]N[5])(C[5]N[5]S)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]N[5])2(S)	N[5](N[5]C[6a]N[5])(C[5]N[5]S){3|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<1>,2|H<1>,4|C<3>}	C[5](N[5]N[5])2(S){2|C<3>}	104.7510	0.000	1	104.7510	0.000	1	104.7510	0.000	1	107.6475	16.779	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	2:2:2:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-2:S[5]-2:S-2:	N[5](N[5]C[6a]C[5])(C[5]S[5]S)	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5])	C[5](N[5]N[5])(S[5]C[5])(SSn)	N[5](N[5]C[6a]C[5])(C[5]S[5]S){1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	C[5](N[5]N[5])(S[5]C[5])(SSn){1|C<3>,1|S<1>}	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	104.3912	3.319	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	2:2:2:	N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	N[5]-2:N[5]-2:O-2:	N[5](N[5]C[6a]N[5])(C[5]N[5]O)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]N[5])2(OCo)	N[5](N[5]C[6a]N[5])(C[5]N[5]O){3|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]N[5])2(OCo){2|C<3>}	103.6764	0.546	7	103.6764	0.298	7	103.6764	0.298	7	104.3912	3.319	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	2:2:2:	N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	N[5]-2:N[5]-2:S-2:	N[5](N[5]C[6a]N[5])(C[5]N[5]S)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]N[5])2(SCo)	N[5](N[5]C[6a]N[5])(C[5]N[5]S){3|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,2|H<1>,4|C<3>}	C[5](N[5]N[5])2(SCo){2|C<3>}	104.2640	0.484	4	104.2640	0.235	4	104.2640	0.235	4	104.3912	3.319	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	2:2:3:	N[5]-3:C[5]-3:	C[5]-3:C[6]-3:N[5]-2:	C[5]-2:N[5]-2:N-3:	N[5](N[5]C[5]C[6])(C[5]C[5]N)	N[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5])	C[5](C[5]C[5])(N[5]N[5])(NOO)	N[5](N[5]C[5]C[6])(C[5]C[5]N){1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5])(N[5]N[5])(NOO){1|C<3>,1|H<1>}	103.5620	0.000	1	103.5620	0.000	1	103.5620	0.000	1	107.7303	13.048	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	2:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-2:S[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]S[5]C)	N[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5])	C[5](N[5]N[5])(S[5]C[5])(COO)	N[5](N[5]C[6a]C[5])(C[5]S[5]C){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](N[5]N[5])(S[5]C[5])(COO){2|C<3>}	109.8145	0.182	2	109.8145	0.033	2	109.8145	0.033	2	107.7303	13.048	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[5,6]-3:C[6a]-3:N[5]-2:	N[5,6]-3:N[5]-2:H-1:	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5,6]C[6,6a]C[5,6])(N[5]N[5])(H)	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H){1|B<4>,3|C<3>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(N[5]N[5])(H){1|B<4>,3|C<3>}	103.5955	0.132	2	103.5955	0.017	2	103.5955	0.017	2	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[5]Ir)(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Ir<6>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Ir<6>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]C[5]Ir)(N[5]N[5])(H){2|C<3>}	103.2910	0.168	2	103.2910	0.028	2	103.2910	0.028	2	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[5a]C[5])(C[5]N[5]H)	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](N[5]C[5a]C[5])(C[5]N[5]H){1|Se<1>,1|C<4>,2|C<3>}	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Se<1>,1|C<3>}	103.2410	0.000	1	103.2410	0.000	1	103.2410	0.000	1	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[5]C[6])(C[5]N[5]H)	N[5](C[6]C[6]N[6])(C[5]N[5]Cu)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](N[5]C[5]C[6])(C[5]N[5]H){1|Cu<3>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Cu)(N[5]C[5]){1|Cu<3>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Cu<3>,1|C<3>}	101.6120	0.000	1	101.6120	0.000	1	101.6120	0.000	1	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[5](N[5]C[5]C[6])(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(N[5]N[5])(H){1|H<1>,3|C<3>}	103.7180	0.000	1	103.7180	0.000	1	103.0385	0.271	15	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[5](N[5]C[5]Co)(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Co<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Co<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Co)(N[5]N[5])(H){1|C<3>,1|H<1>}	102.4560	0.000	1	102.4560	0.000	1	103.0385	0.271	15	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[5](N[5]C[5]Hg)(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Hg<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Hg<4>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Hg)(N[5]N[5])(H){1|C<3>,1|H<1>}	102.1340	0.000	1	102.1340	0.000	1	103.0385	0.271	15	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[5](N[5]C[5]Mn)(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Mn<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Mn<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Mn)(N[5]N[5])(H){1|C<3>,1|H<1>}	102.7620	0.000	1	102.7620	0.000	1	103.0385	0.271	15	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[5](N[5]C[5]Ni)(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Ni<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Ni<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Ni)(N[5]N[5])(H){1|C<3>,1|H<1>}	102.7590	0.000	1	102.7590	0.000	1	103.0385	0.271	15	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(H){1|H<1>,3|C<3>}	103.8690	0.000	1	103.8690	0.000	1	103.0385	0.271	15	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Rh<6>,1|C<3>}	102.9928	0.270	8	102.9928	0.073	8	103.0385	0.271	15	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[5](N[5]C[5]C[6])(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(N[5]N[5])(H){1|Ru<9>,1|N<3>,2|C<3>}	103.9370	0.000	1	103.9370	0.000	1	103.0385	0.271	15	103.0573	0.333	21	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:N[5]-2:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]N[5])2	N[5](C[5]C[6a]N[5])(N[5]C[6a]N[5]){5|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|H<1>,4|C<3>}	103.8377	0.364	27	103.8377	0.133	27	103.8377	0.133	27	103.8768	0.171	28	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:2:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-2:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(NC)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|C<4>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(NC){1|C<3>,1|N<3>}	104.9300	0.000	1	104.9300	0.000	1	104.9300	0.000	1	103.8768	0.171	28	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[5,6]-3:C[6a]-3:N[5]-2:	N[5,6]-3:N[5]-2:C-3:	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5,6]C[5,6,6]C[5,6])(N[5]N[5])(CCO)	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C){1|C<4>,1|N<2>,2|C<3>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6]C[5,6])(N[5]N[5])(CCO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	104.4270	0.091	2	104.4270	0.008	2	104.4140	0.005	3	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[5,6]-3:C[6a]-3:N[5]-2:	N[5,6]-3:N[5]-2:C-3:	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5,6]C[5,6,6]C[5,6])(N[5]N[5])(CNO)	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C){1|C<4>,1|N<2>,2|C<3>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6]C[5,6])(N[5]N[5])(CNO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	104.3880	0.000	1	104.3880	0.000	1	104.4140	0.005	3	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:N[5]-2:N-3:	N[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]N)	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH)	N[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]N){1|N<2>,3|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH){1|H<1>,3|C<3>}	105.0490	0.000	1	105.0490	0.000	1	105.0490	0.000	1	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[5a]C[5])(C[5]N[5]N)	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5])	C[5](N[5]C[5]N)(N[5]N[5])(NHH)	N[5](N[5]C[5a]C[5])(C[5]N[5]N){2|N<2>,2|N<3>}	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5]){1|N<2>,3|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(NHH){1|C<3>,1|N<3>}	103.4090	0.000	1	103.4090	0.000	1	103.4090	0.000	1	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]H)(N[5]N[5])(CHH)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(N[5]N[5])(CHH){1|C<3>,1|C<4>}	103.5920	0.242	2	103.5920	0.058	2	103.5920	0.058	2	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(NHH)	N[5](N[5]C[6a]C[5])(C[5]C[5]N){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(NHH){1|C<3>,1|O<1>}	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){4|C<3>}	104.2650	0.000	1	104.2650	0.000	1	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|H<1>,3|C<3>}	103.8703	0.232	3	103.8703	0.054	3	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Ir<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Ir<8>,3|C<3>}	102.1783	0.404	3	102.1783	0.163	3	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5])	C[5](N[5]C[5]H)(N[5]N[5])(NHH)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|H<1>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(NHH){1|C<3>,1|N<3>}	103.3065	0.213	2	103.3065	0.045	2	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Pd<4>,3|C<3>}	103.5160	0.000	1	103.5160	0.000	1	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Rh<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Rh<4>,3|C<3>}	102.3380	0.000	1	102.4300	0.017	2	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Rh<6>,3|C<3>}	102.5220	0.000	1	102.4300	0.017	2	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Ru<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Ru<5>,3|C<3>}	102.0780	0.000	1	101.7497	0.322	3	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Ru<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Ru<6>,3|C<3>}	101.0940	0.000	1	101.7497	0.322	3	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Ru<9>,3|C<3>}	102.0770	0.000	1	101.7497	0.322	3	102.8433	0.890	15	103.3937	1.491	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	106.0190	0.000	1	105.6945	0.211	2	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	105.3700	0.000	1	105.6945	0.211	2	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	106.4249	0.491	80	106.4051	0.270	81	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	104.8140	0.000	1	106.4051	0.270	81	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CHHO)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CHHO){1|C<3>,1|O<1>}	106.4460	0.000	1	106.4460	0.000	1	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	105.5070	0.803	2	105.8683	0.714	3	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>}	106.5910	0.000	1	105.8683	0.714	3	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	104.5630	0.000	1	104.5630	0.000	1	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	106.1310	0.127	2	106.6928	0.152	8	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	106.9525	0.205	4	106.6928	0.152	8	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	106.7350	0.139	2	106.6928	0.152	8	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]S)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]S)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	109.7900	0.000	1	109.7900	0.000	1	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]N[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|N<2>}	N[5](C[6a]N[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	107.0365	0.268	2	107.0365	0.072	2	106.4264	0.434	99	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|C<3>,4|C<4>}	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	104.4260	0.327	2	104.4260	0.107	2	104.4260	0.107	2	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:P[5]-3:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]P[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5])	C[5](N[5]C[6a]P[5])(N[5]N[5])(CC3)	N[5](N[5]C[6a]P[5])(C[5]N[5]C){1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(N[5]N[5])(CC3){1|Br<1>,3|C<3>}	109.4970	0.338	2	109.4970	0.114	2	109.4970	0.114	2	106.4472	0.682	103	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Cu<4>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5]){2|H<1>,4|C<3>}	103.3255	0.465	4	103.3255	0.216	4	103.6779	0.435	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]N[5]){2|H<1>,4|C<3>}	104.1580	0.620	4	104.1580	0.385	4	103.6779	0.435	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Mo<6>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Mo<6>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]){1|H<1>,1|O<2>,4|C<3>}	103.1670	0.000	1	103.1670	0.000	1	103.6779	0.435	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	106.1960	0.000	1	106.1960	0.000	1	106.1960	0.000	1	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){6|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,6|C<3>}	104.9490	0.000	1	104.9490	0.000	1	103.7717	1.242	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,2|H<1>,5|C<3>}	104.0460	0.000	1	104.0460	0.000	1	103.7717	1.242	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Re<5>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5]){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Re<5>,2|H<1>,5|C<3>}	103.2840	0.000	2	103.9860	0.657	4	103.7717	1.242	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Re<5>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Re<5>,2|H<1>,5|C<3>}	104.6880	0.000	2	103.9860	0.657	4	103.7717	1.242	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Ru<5>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ru<5>,2|H<1>,5|C<3>}	103.2260	0.000	1	102.3105	1.676	2	103.7717	1.242	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Ru<6>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ru<6>,2|H<1>,5|C<3>}	101.3950	0.000	1	102.3105	1.676	2	103.7717	1.242	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Tc)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Tc<5>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Tc)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Tc<5>,2|H<1>,5|C<3>}	104.3850	0.000	1	104.3850	0.000	1	103.7717	1.242	9	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Ir<4>,1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Ir<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	106.1600	0.000	1	106.1600	0.000	1	105.2613	0.853	10	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Mo<9>,1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Mo<9>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	105.7530	0.000	1	105.7530	0.000	1	105.2613	0.853	10	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Pd<4>,1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	106.3275	0.346	2	106.3275	0.120	2	105.2613	0.853	10	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	104.6742	0.658	6	104.6742	0.433	6	105.2613	0.853	10	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6]-3:N[5]-2:	N[5](N[5]C[6a]C[5])(C[5]C[6]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]C[5])	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5])	N[5](N[5]C[6a]C[5])(C[5]C[6]N[5]){1|Pt<4>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5]){1|Pt<4>,1|C<2>,2|H<1>,4|C<3>}	104.5710	0.000	1	104.5710	0.000	1	104.5710	0.000	1	104.3475	1.377	30	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:N[5]-3:	B[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5])	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5]){2|H<1>,5|C<3>}	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	108.0205	0.220	4	108.0205	0.048	4	108.0205	0.048	4	108.2734	0.289	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.8360	0.035	2	108.8360	0.001	2	108.2954	0.330	14	108.2734	0.289	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	109.0770	0.000	1	109.0770	0.000	1	108.2954	0.330	14	108.2734	0.289	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	108.4980	0.000	1	108.5322	0.041	5	108.2954	0.330	14	108.2734	0.289	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	108.5408	0.233	4	108.5322	0.041	5	108.2954	0.330	14	108.2734	0.289	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,1|S<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	108.2875	0.264	2	108.2875	0.070	2	108.2954	0.330	14	108.2734	0.289	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	107.5378	0.308	4	107.5378	0.095	4	108.2954	0.330	14	108.2734	0.289	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	108.2734	0.289	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:3:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[3,5]-4:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[3,5]C[3]2C[5])(N[5]N[5])(COO)	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3]2C[5])(N[5]N[5])(COO){1|H<1>,1|O<1>,2|C<2>,2|C<3>}	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	108.9315	0.000	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:3:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(COO)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(COO){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|C<3>}	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	108.9315	0.000	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[3,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C){1|N<2>,1|O<1>,3|C<3>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3){1|O<1>,2|C<3>}	107.7210	0.000	1	107.7210	0.000	1	108.2013	0.273	4	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[3,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[3,5]C[3]C[5]O[3])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(N[5]N[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	108.3613	0.506	3	108.3613	0.256	3	108.2013	0.273	4	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	107.8850	0.000	1	107.8850	0.000	1	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3){1|O<1>,5|C<3>}	107.9660	0.000	1	107.9660	0.000	1	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	107.7660	0.079	4	107.7660	0.006	4	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	108.8770	0.000	1	108.8770	0.000	1	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	107.9883	0.445	3	107.9883	0.198	3	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<2>}	109.1590	0.000	1	107.9419	0.268	15	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	107.9270	0.000	2	107.9419	0.268	15	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	108.5280	0.482	2	107.9419	0.268	15	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	107.9755	0.104	2	107.9419	0.268	15	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.0170	0.000	1	107.9419	0.268	15	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	107.6020	0.276	4	107.9419	0.268	15	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,3|H<1>,4|C<3>}	107.3755	0.008	2	107.9419	0.268	15	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,5|C<3>}	107.9320	0.000	1	107.9419	0.268	15	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>}	108.6600	0.000	1	108.6600	0.000	1	107.9825	0.226	26	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	107.5170	0.000	1	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	107.8160	0.119	2	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.5980	0.000	1	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	108.2780	0.000	1	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	107.4044	0.238	7	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	107.9620	0.000	1	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.6410	0.000	1	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.3020	0.255	3	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	107.1090	0.000	1	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,4|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	107.2130	1.048	2	107.4950	0.165	20	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,4|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	107.9340	0.000	1	107.9340	0.000	1	107.5159	0.166	21	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]2C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2C)(N[5]N[5])(CH3){1|C<4>,1|O<1>,3|C<3>}	107.8250	0.000	1	107.8250	0.000	1	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]2N)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2N)(N[5]N[5])(CH3){1|F<1>,1|O<1>,3|C<3>}	107.9530	0.000	1	107.9530	0.000	1	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH){1|O<1>,1|O<2>,3|C<3>}	108.4820	0.281	2	108.4820	0.079	2	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	106.8597	0.937	4	107.6428	0.430	18	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	107.8665	0.342	14	107.6428	0.430	18	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	108.4380	0.000	1	108.1447	0.132	6	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	108.3080	0.283	3	108.1447	0.132	6	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	107.7530	0.168	2	108.1447	0.132	6	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	108.0090	0.000	1	108.1178	0.643	4	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	108.1540	0.978	3	108.1178	0.643	4	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]CS)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CS)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	107.8230	0.000	1	107.8230	0.000	1	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|N<2>,1|O<1>,2|C<3>}	107.6070	0.000	1	107.2160	0.306	2	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	106.8250	0.000	1	107.2160	0.306	2	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	107.9330	0.093	2	107.9330	0.009	2	107.8317	0.375	37	107.8177	0.304	88	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	B[5]-3:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5])	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5]){1|H<1>,6|C<3>}	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,6|C<3>}	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	108.4060	0.224	3	108.4060	0.050	3	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	108.0490	0.000	1	108.8822	0.936	6	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	108.3190	0.000	1	108.8822	0.936	6	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|N<2>,1|O<1>,5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.1170	1.230	3	108.8822	0.936	6	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|N<2>,1|O<1>,5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,5|C<3>}	109.5740	0.000	1	108.8822	0.936	6	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,6|C<3>}	109.2050	0.000	1	109.2050	0.000	1	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,4|H<1>,6|C<3>}	108.4660	0.000	1	108.5011	0.084	7	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	108.5420	0.448	2	108.5011	0.084	7	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	108.9260	0.000	1	108.5011	0.084	7	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,6|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,7|C<3>}	108.3440	0.149	3	108.5011	0.084	7	108.6602	0.390	17	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	108.2190	0.000	1	108.2190	0.000	1	108.4805	0.227	6	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	108.0140	0.000	1	108.5328	0.264	5	108.4805	0.227	6	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	108.3490	0.000	1	108.5328	0.264	5	108.4805	0.227	6	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	109.3480	0.000	1	108.5328	0.264	5	108.4805	0.227	6	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|O<1>,6|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	108.4765	0.284	2	108.5328	0.264	5	108.4805	0.227	6	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	108.6206	0.379	25	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	2:2:1:	C[5]-3:N[5]-3:	C[5]-3:B-4:N[5]-2:	C[5]-2:N[5]-2:H-1:	N[5](C[5]C[5]H)(N[5]C[5]B)	N[5](C[5]C[5]H)(BN[5a]2H)(N[5]C[5])	C[5](C[5]C[5])(N[5]N[5])(H)	N[5](C[5]C[5]H)(N[5]C[5]B){1|H<1>}	N[5](C[5]C[5]H)(BN[5a]2H)(N[5]C[5]){1|H<1>}	C[5](C[5]C[5])(N[5]N[5])(H){1|B<4>,1|H<1>}	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	108.2865	3.546	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	2:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-2:S[5]-2:H-1:	N[5](C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5])	C[5](N[5]N[5])(S[5]C[5])(H)	N[5](C[5]S[5]H)(N[5]C[5]C){1|S<1>}	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5]){1|H<1>}	C[5](N[5]N[5])(S[5]C[5])(H){1|C<4>,1|S<1>}	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	108.2865	3.546	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5,6]-3:C-4:N[5]-2:	N[5,6]-3:N[5]-2:H-1:	N[5](C[5]N[5,6]H)(N[5]C[5,6]C)	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5])	C[5](N[5,6]C[5,6]C[6])(N[5]N[5])(H)	N[5](C[5]N[5,6]H)(N[5]C[5,6]C){1|C<4>,1|S<2>}	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5]){1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(N[5]N[5])(H){1|S<2>,2|C<4>,2|H<1>}	103.3080	0.000	1	103.3080	0.000	1	103.3080	0.000	1	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:B-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]B)	N[5](C[5]N[5]H)(BN[5a]HH)(N[5]C[5])	C[5](N[5]C[5]Mn)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]B){1|Mn<6>,1|H<1>}	N[5](C[5]N[5]H)(BN[5a]HH)(N[5]C[5]){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(N[5]N[5])(H){1|B<4>,1|H<1>}	103.4150	0.000	1	103.4150	0.000	1	103.4150	0.000	1	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5])	C[5](N[5]C[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){2|H<1>}	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5]){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.4700	0.000	1	103.4700	0.000	1	102.5903	4.976	14	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	103.4060	0.000	1	103.4060	0.000	1	102.5903	4.976	14	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[5]Cd)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cd<6>,1|H<1>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cd<6>,1|H<1>}	C[5](N[5]C[5]Cd)(N[5]N[5])(H){1|C<4>,1|H<1>}	101.6185	0.025	2	101.6185	0.001	2	102.5903	4.976	14	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[5]Cu)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<2>,1|H<1>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<2>,1|H<1>}	C[5](N[5]C[5]Cu)(N[5]N[5])(H){1|C<4>,1|H<1>}	99.5139	0.000	2	101.4338	1.952	7	102.5903	4.976	14	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[5]Cu)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<5>,1|H<1>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(N[5]N[5])(H){1|C<4>,1|H<1>}	102.3540	0.000	1	101.4338	1.952	7	102.5903	4.976	14	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[5]Cu)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<6>,1|H<1>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<6>,1|H<1>}	C[5](N[5]C[5]Cu)(N[5]N[5])(H){1|C<4>,1|H<1>}	102.1637	0.674	4	101.4338	1.952	7	102.5903	4.976	14	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[5a]C[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<3>,1|H<1>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	103.6760	0.000	1	103.6760	0.000	1	102.5903	4.976	14	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<3>,1|H<1>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	103.6920	0.000	1	103.6920	0.000	1	102.5903	4.976	14	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	108.7460	0.000	1	108.7460	0.000	1	102.5903	4.976	14	102.6867	4.382	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(CCO)	N[5](N[5]C[6a]C[5])(C[5]N[5]C){2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5]C)(N[5]N[5])(CCO){1|C<4>,2|C<3>}	105.5910	0.397	3	105.7703	0.233	4	105.8326	0.341	9	105.8326	0.341	9	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(CCO)	N[5](N[5]C[6a]C[5])(C[5]N[5]C){2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5]C)(N[5]N[5])(CCO){1|C<4>,2|C<3>}	106.3080	0.000	1	105.7703	0.233	4	105.8326	0.341	9	105.8326	0.341	9	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCO)	N[5](N[5]C[6a]C[5])(C[5]N[5]C){1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCO){1|C<4>,4|C<3>}	106.9200	0.000	1	106.9200	0.000	1	105.8326	0.341	9	105.8326	0.341	9	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(COO)	N[5](N[5]C[6a]C[5])(C[5]N[5]C){2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(COO){2|C<4>,3|C<3>}	105.6230	0.468	4	105.6230	0.219	4	105.8326	0.341	9	105.8326	0.341	9	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:B-4:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]B)	N[5](C[5]N[5]S)(BN[5]2Rh)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]B){1|C<4>,1|S<2>}	N[5](C[5]N[5]S)(BN[5]2Rh)(N[5]C[5]){2|C<4>}	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<2>}	104.6002	0.345	6	104.6002	0.119	6	104.6002	0.119	6	105.8779	5.882	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5])	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|S<1>}	103.8670	0.000	1	103.8670	0.000	1	104.2494	0.074	10	105.8779	5.882	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C[5](N[5]C[5]N)(N[5]N[5])(CCHH)	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CCHH){1|C<4>,1|S<1>}	104.2835	0.303	2	104.2835	0.092	2	104.2494	0.074	10	105.8779	5.882	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<2>,1|S<1>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>}	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|S<1>}	104.3062	0.285	6	104.2943	0.068	7	104.2494	0.074	10	105.8779	5.882	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|S<1>}	104.2230	0.000	1	104.2943	0.068	7	104.2494	0.074	10	105.8779	5.882	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]OV)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<2>,1|V<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]OV)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<2>,1|V<8>}	106.4520	0.000	1	106.4520	0.000	1	106.4520	0.000	1	105.8779	5.882	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:C[5]-3:	P[5]-3:Si-4:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]P[5]Si)(C[5]C[5]C)	N[5](P[5]C[5]Cr)(SiN[5]CC)(N[5]C[5])	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	N[5](N[5]P[5]Si)(C[5]C[5]C){1|Cr<6>,1|C<4>}	N[5](P[5]C[5]Cr)(SiN[5]CC)(N[5]C[5]){2|C<4>}	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Cr<6>,1|Si<4>}	109.4910	0.079	2	109.4910	0.006	2	109.7740	0.082	6	105.8779	5.882	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:C[5]-3:	P[5]-3:Si-4:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]P[5]Si)(C[5]C[5]C)	N[5](P[5]C[5]Mo)(SiN[5]CC)(N[5]C[5])	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	N[5](N[5]P[5]Si)(C[5]C[5]C){1|Mo<6>,1|C<4>}	N[5](P[5]C[5]Mo)(SiN[5]CC)(N[5]C[5]){2|C<4>}	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Mo<6>,1|Si<4>}	109.7180	0.093	2	109.7180	0.009	2	109.7740	0.082	6	105.8779	5.882	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:C[5]-3:	P[5]-3:Si-4:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]P[5]Si)(C[5]C[5]C)	N[5](P[5]C[5]W)(SiN[5]CC)(N[5]C[5])	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	N[5](N[5]P[5]Si)(C[5]C[5]C){1|C<4>,1|W<6>}	N[5](P[5]C[5]W)(SiN[5]CC)(N[5]C[5]){2|C<4>}	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Si<4>,1|W<6>}	110.1130	0.007	2	110.1130	0.000	2	109.7740	0.082	6	105.8779	5.882	23	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|N<2>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	104.9158	0.154	5	104.7450	0.083	8	104.7450	0.083	8	104.7126	0.082	9	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|N<3>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	104.4603	0.220	3	104.7450	0.083	8	104.7450	0.083	8	104.7126	0.082	9	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|S<1>,3|C<3>}	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5]){2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|S<1>,2|H<1>,4|C<3>}	104.4530	0.000	1	104.4530	0.000	1	104.4530	0.000	1	104.7126	0.082	9	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[5a]C[5])(N[5]C[5a]C[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[5a]C[5])(N[5]C[5a]C[5]){1|S<2>,2|C<3>,2|N<2>,3|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	108.0920	0.081	2	108.0920	0.006	2	107.9053	0.108	3	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[5a]C[5])(N[5]C[5a]C[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[5a]C[5])(N[5]C[5a]C[5]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	107.5320	0.000	1	107.5320	0.000	1	107.9053	0.108	3	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5]){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	108.0080	0.000	1	108.0080	0.000	1	108.0961	0.142	17	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5]){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.3170	0.040	3	108.3170	0.002	3	108.0961	0.142	17	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5]){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.0518	0.417	13	108.0518	0.174	13	108.0961	0.142	17	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	109.4940	0.000	1	109.4940	0.000	1	108.9805	0.214	6	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|H<1>,3|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	108.4565	0.175	2	108.4565	0.031	2	108.9805	0.214	6	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.9130	0.000	1	108.9130	0.000	1	108.9805	0.214	6	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|P<4>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){1|P<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	109.4250	0.000	1	109.4250	0.000	1	108.9805	0.214	6	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<2>,2|C<4>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	109.1380	0.000	1	109.1380	0.000	1	108.9805	0.214	6	108.2782	0.300	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:1:	C[5]-3:N[5]-3:	C[5]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:O-1:	N[5](C[5]C[5]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(O)	N[5](C[5]C[5]O)(N[5]C[5]2){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]2)(C[5]C[5]CH)(N[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5])(O){1|C<3>,1|C<4>,1|H<1>}	107.3830	0.000	1	107.3830	0.000	1	107.2365	0.043	2	107.1263	0.058	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:1:	C[5]-3:N[5]-3:	C[5]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:O-1:	N[5](C[5]C[5]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(O)	N[5](C[5]C[5]O)(N[5]C[5]2){2|C<3>,4|H<1>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(O){1|C<3>,2|H<1>}	107.0900	0.000	1	107.0900	0.000	1	107.2365	0.043	2	107.1263	0.058	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:Br-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]Br)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(Br)	N[5](N[5]C[6a]C[5])(C[5]C[5]Br){1|N<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(Br){1|H<1>,2|C<3>}	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	107.1263	0.058	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:2:	C[5]-3:N[5]-3:	C[5]-3:B-4:N[5]-2:	C[5]-4:C[5]-2:N[5]-2:	N[5](C[5]C[5]2)(N[5]C[5]B)	N[5](C[5]C[5]C)(BN[5a]HH)(N[5]C[5])	C[5](C[5]C[5]2Fe)(C[5]C[5])(N[5]N[5])	N[5](C[5]C[5]2)(N[5]C[5]B){1|Fe<10>,3|C<4>}	N[5](C[5]C[5]C)(BN[5a]HH)(N[5]C[5]){1|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5])(N[5]N[5]){1|B<4>,2|H<1>,3|C<4>}	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCO)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCO){2|C<4>,3|C<3>}	109.0355	0.105	2	109.0355	0.011	2	109.1768	0.257	14	109.1768	0.257	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(COO)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5])(COO){1|C<2>,1|C<3>,1|H<1>}	109.1495	0.496	2	108.9174	0.230	5	109.1768	0.257	14	109.1768	0.257	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(COO)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(COO){1|H<1>,2|C<3>}	108.7627	0.497	3	108.9174	0.230	5	109.1768	0.257	14	109.1768	0.257	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCO)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCO){1|C<4>,1|H<1>,3|C<3>}	108.6980	0.000	1	108.6980	0.000	1	109.1768	0.257	14	109.1768	0.257	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:3:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(CCH)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CCH){1|C<3>,2|H<1>}	109.5198	0.468	6	109.5198	0.219	6	109.1768	0.257	14	109.1768	0.257	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:4:	C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[3,5]-4:N[5]-2:C-4:	N[5](C[5]C[3,5]C)(N[5]C[5]C)	N[5](C[5]C[3,5]O)(CC[6a]HH)(N[5]C[5])	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3)	N[5](C[5]C[3,5]C)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>}	N[5](C[5]C[3,5]O)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>}	107.0740	0.000	1	107.0740	0.000	1	107.0740	0.000	1	107.3245	0.109	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:4:	C[5]-3:N[5]-3:	C[5]-3:S-4:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](C[5]C[5,5]C)(N[5]C[5]S)	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](C[5]C[5,5]C)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|C<4>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	107.3245	0.109	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:4:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|C<4>,2|H<1>,2|N<2>}	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,2|C<4>}	107.6005	0.148	2	107.6005	0.022	2	107.6005	0.022	2	107.3245	0.109	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:3:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){3|H<1>,6|C<3>}	108.5395	0.265	2	108.5395	0.070	2	108.5395	0.070	2	108.6320	0.157	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:3:2:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])(C[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5])	N[5](N[5]C[6a]C[5])(C[5]C[5]2){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	108.6690	0.461	5	108.6690	0.212	5	108.6690	0.212	5	108.6320	0.157	7	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:4:2:	N[5]-3:C[5]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-4:N[5]-2:	N[5](N[5]C[5a]C[5])(C[5]C[5]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5])	N[5](N[5]C[5a]C[5])(C[5]C[5]2){1|Fe<10>,1|C<3>,1|N<2>,1|S<2>,2|C<4>,3|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5]){2|C<3>,2|C<4>,3|H<1>}	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	2:2:1:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:O-1:	N[5]-2:N[5]-2:O-1:	N[5](C[5]N[5]O)(N[5]C[5]O)	N[5](C[5]N[5]CC)(N[5]C[5])(O)	C[5](N[5]C[5])(N[5]N[5])(O)	N[5](C[5]N[5]O)(N[5]C[5]O){2|C<4>}	N[5](C[5]N[5]CC)(N[5]C[5])(O){1|O<1>}	C[5](N[5]C[5])(N[5]N[5])(O){1|O<1>,2|C<4>}	105.5160	0.000	1	105.5160	0.000	1	105.5160	0.000	1	105.5160	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	3:3:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[5]-3:C[5]-3:N[5]-2:	N[5](C[5]C[5]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]C)(N[5]C[5])(H)	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5])	N[5](C[5]C[5]2)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(N[5]C[5])(H){1|O<1>,3|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5]){2|C<3>,2|C<4>,4|H<1>}	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[5]CO)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CO)(N[5]C[5])(H){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]CC)(N[5]C[5])(H)	C[5](C[5]C[5]HH)(N[5]N[5])(COO)	N[5](C[5]C[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(N[5]C[5])(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(COO){1|C<3>,1|C<4>,1|H<1>}	108.3630	0.000	1	108.3630	0.000	1	109.0297	0.463	3	109.2438	0.492	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]CH)(N[5]C[5])(H)	C[5](C[5]C[5]CH)(N[5]N[5])(COO)	N[5](C[5]C[5]C)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]N[5])(COO){1|C<3>,2|H<1>}	109.7230	0.000	1	109.7230	0.000	1	109.0297	0.463	3	109.2438	0.492	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]CH)(N[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CC[6a]O)	N[5](C[5]C[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	109.0030	0.000	1	109.0030	0.000	1	109.0297	0.463	3	109.2438	0.492	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:3:	N[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	N[5](N[5]C[5,5]H)(C[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5](C[5]C[5,5]CH)(N[5]N[5])(CC[6a]O)	N[5](N[5]C[5,5]H)(C[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]N[5])(CC[6a]O){1|H<1>,2|C<3>}	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.2438	0.492	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]CH)(N[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CF3)	N[5](C[5]C[5]C)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CF3){2|H<1>,3|C<3>}	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	109.2729	3.215	8	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:S-4:	N[5](C[5]C[5]S)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H)	C[5](C[5]C[5]HH)(N[5]N[5])(SFOO)	N[5](C[5]C[5]S)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(SFOO){1|C<3>,2|H<1>}	108.0210	0.102	2	108.0210	0.010	2	108.0210	0.010	2	109.2729	3.215	8	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:4:	C[5]-3:N[5]-3:	Si[5,5]-4:N[5]-2:H-1:	C[5,5]-4:N[5]-2:Si-4:	N[5](C[5]C[5,5]Si)(N[5]Si[5,5]H)	N[5](Si[5,5]C[5,5]C[5]Si)(N[5]C[5])(H)	C[5](C[5,5]Si[5,5]C[5]Si)(N[5]N[5])(SiC3)	N[5](C[5]C[5,5]Si)(N[5]Si[5,5]H){2|Si<4>,2|C<4>}	N[5](Si[5,5]C[5,5]C[5]Si)(N[5]C[5])(H){4|Si<4>,2|C<4>}	C[5](C[5,5]Si[5,5]C[5]Si)(N[5]N[5])(SiC3){1|Si<4>,2|C<4>,3|H<1>}	113.5200	0.000	1	113.5200	0.000	1	113.5200	0.000	1	109.2729	3.215	8	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:4:	N[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:P-4:	N[5](N[5]C[5,5]H)(C[5]C[5]P)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5](C[5]C[5,5]CH)(N[5]N[5])(PO3)	N[5](N[5]C[5,5]H)(C[5]C[5]P){1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]N[5])(PO3){1|H<1>,2|C<3>}	109.2780	0.000	1	109.2780	0.000	1	109.0367	0.153	4	109.2729	3.215	8	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:4:	N[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:P-4:	N[5](N[5]C[5,5]H)(C[5]C[5]P)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(PO3)	N[5](N[5]C[5,5]H)(C[5]C[5]P){1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(PO3){1|H<1>,4|C<3>}	108.7705	0.418	2	108.7705	0.175	2	109.0367	0.153	4	109.2729	3.215	8	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:4:	N[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:P-4:	N[5](N[5]C[5,5]H)(C[5]C[5]P)	N[5](C[5,5]C[5]3)(N[5]C[5])(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(PO3)	N[5](N[5]C[5,5]H)(C[5]C[5]P){1|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(N[5]C[5])(H){1|H<1>,1|P<4>,2|O<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(PO3){1|H<1>,4|C<3>}	109.3280	0.000	1	109.3280	0.000	1	109.0367	0.153	4	109.2729	3.215	8	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:2:	3:3:2:	N[5]-3:C[5]-3:	C[3x6]-4:C[5]-2:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](N[5]C[3x6]C[5])(C[5]C[6a]N[5])	N[5](C[3x6]C[6,6]3)(C[5]N[5])(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[3x6]C[5])(C[5]C[6a]N[5]){3|C<3>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5])(N[5]C[5]){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	104.0685	0.820	2	104.0685	0.672	2	104.0685	0.672	2	104.0685	0.672	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:2:	N[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-3:	O[5]-2:N[5]-2:O-2:	N[5](N[5]C[5,5]C)(C[5]O[5]O)	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)	C[5](O[5]C[5,5])(N[5]N[5])(OC)	N[5](N[5]C[5,5]C)(C[5]O[5]O){2|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](O[5]C[5,5])(N[5]N[5])(OC){3|C<3>}	102.7430	0.000	1	102.7430	0.000	1	102.7430	0.000	1	104.3125	4.927	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:2:	N[5]-3:C[5]-3:	Si[5,6]-4:N[5]-2:C-3:	O[5]-2:N[5]-2:O-2:	N[5](N[5]Si[5,6]C)(C[5]O[5]O)	N[5](Si[5,6]N[6]2O[5])(N[5]C[5])(COO)	C[5](O[5]Si[5,6])(N[5]N[5])(OC)	N[5](N[5]Si[5,6]C)(C[5]O[5]O){2|N<3>}	N[5](Si[5,6]N[6]2O[5])(N[5]C[5])(COO){1|O<2>,4|C<3>}	C[5](O[5]Si[5,6])(N[5]N[5])(OC){1|C<3>,2|N<3>}	105.8820	0.000	1	105.8820	0.000	1	105.8820	0.000	1	104.3125	4.927	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	N[5]-2:S[5]-2:N-3:	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]C[6]S[5]C)(N[5]C[5])(CCO)	C[5](N[5]N[5])(S[5]C[5])(NCH)	N[5](C[5]S[5]N)(N[5]C[5]C){2|C<4>}	N[5](C[5]C[6]S[5]C)(N[5]C[5])(CCO){1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]N[5])(S[5]C[5])(NCH){1|C<3>,2|C<4>}	110.0560	0.000	1	110.0560	0.000	1	110.0962	0.324	10	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	N[5]-2:S[5]-2:N-3:	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]S[5]C)(N[5]C[5])(CCO)	C[5](N[5]N[5])(S[5]C[5])(NCH)	N[5](C[5]S[5]N)(N[5]C[5]C){1|C<3>,1|C<4>}	N[5](C[5]C[6a]S[5]C)(N[5]C[5])(CCO){1|N<3>,2|C<3>}	C[5](N[5]N[5])(S[5]C[5])(NCH){1|C<4>,2|C<3>}	110.3785	0.375	2	110.3785	0.141	2	110.0962	0.324	10	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	N[5]-2:S[5]-2:N-3:	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]S[5]H)(N[5]C[5])(CCO)	C[5](N[5]N[5])(S[5]C[5])(NCH)	N[5](C[5]S[5]N)(N[5]C[5]C){1|C<3>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(N[5]C[5])(CCO){1|N<3>,2|C<3>}	C[5](N[5]N[5])(S[5]C[5])(NCH){1|H<1>,2|C<3>}	109.5240	0.391	3	109.5240	0.153	3	110.0962	0.324	10	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	N[5]-2:S[5]-2:N-3:	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]S[5]CC)(N[5]C[5])(CCO)	C[5](N[5]N[5])(S[5]C[5])(NCH)	N[5](C[5]S[5]N)(N[5]C[5]C){1|C<3>,1|C<4>}	N[5](C[5]S[5]CC)(N[5]C[5])(CCO){1|N<3>}	C[5](N[5]N[5])(S[5]C[5])(NCH){1|C<4>,2|C<3>}	110.2380	0.000	1	110.6407	0.123	3	110.0962	0.324	10	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	N[5]-2:S[5]-2:N-3:	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]S[5]CC)(N[5]C[5])(CCO)	C[5](N[5]N[5])(S[5]C[5])(NCH)	N[5](C[5]S[5]N)(N[5]C[5]C){2|C<4>}	N[5](C[5]S[5]CC)(N[5]C[5])(CCO){1|N<3>}	C[5](N[5]N[5])(S[5]C[5])(NCH){1|C<3>,2|C<4>}	110.8420	0.058	2	110.6407	0.123	3	110.0962	0.324	10	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	N[5]-2:S[5]-2:N-3:	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]S[5]CC)(N[5]C[5])(CC[6a]O)	C[5](N[5]N[5])(S[5]C[5])(NC[6a]H)	N[5](C[5]S[5]N)(N[5]C[5]C){2|C<4>}	N[5](C[5]S[5]CC)(N[5]C[5])(CC[6a]O){1|N<3>}	C[5](N[5]N[5])(S[5]C[5])(NC[6a]H){1|C<3>,2|C<4>}	109.6550	0.000	1	109.6550	0.000	1	110.0962	0.324	10	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	N[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-3:	S[5]-2:N[5]-2:N-3:	N[5](N[5]C[5,6]C)(C[5]S[5]N)	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO)	C[5](S[5]C[5,6])(N[5]N[5])(NCH)	N[5](N[5]C[5,6]C)(C[5]S[5]N){1|C<3>,1|C<4>}	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](S[5]C[5,6])(N[5]N[5])(NCH){1|C<4>,2|C<3>}	110.0640	0.000	1	109.9614	0.438	8	109.9614	0.438	8	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	N[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-3:	S[5]-2:N[5]-2:N-3:	N[5](N[5]C[5,6]C)(C[5]S[5]N)	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO)	C[5](S[5]C[5,6])(N[5]N[5])(NCH)	N[5](N[5]C[5,6]C)(C[5]S[5]N){2|C<4>}	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO){1|N<3>,2|C<4>,4|H<1>}	C[5](S[5]C[5,6])(N[5]N[5])(NCH){1|C<3>,2|C<4>}	110.4870	0.501	3	109.9614	0.438	8	109.9614	0.438	8	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	N[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-3:	S[5]-2:N[5]-2:N-3:	N[5](N[5]C[5,6]C)(C[5]S[5]N)	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO)	C[5](S[5]C[5,6])(N[5]N[5])(NCH)	N[5](N[5]C[5,6]C)(C[5]S[5]N){2|C<4>}	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO){1|N<3>,3|C<4>,3|H<1>}	C[5](S[5]C[5,6])(N[5]N[5])(NCH){1|C<3>,2|C<4>}	109.5415	0.583	4	109.9614	0.438	8	109.9614	0.438	8	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	2:2:3:	N[5]-3:C[5]-3:	Ga[5,5]-4:N[5]-2:C-3:	S[5]-2:N[5]-2:N-3:	N[5](N[5]Ga[5,5]C)(C[5]S[5]N)	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C)	C[5](S[5]Ga[5,5])(N[5]N[5])(NHN)	N[5](N[5]Ga[5,5]C)(C[5]S[5]N){1|N<3>,1|S<2>}	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,2|C<3>}	C[5](S[5]Ga[5,5])(N[5]N[5])(NHN){1|C<3>,1|N<3>,1|S<2>}	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	110.1946	0.813	19	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:1:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N[5]-2:O-1:	N[5](C[5]N[5]O)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(N[5]C[5])(CC[5a]H)	C[5](N[5]C[5]C)(N[5]N[5])(O)	N[5](C[5]N[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(N[5]C[5])(CC[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5]C)(N[5]N[5])(O){1|H<1>,2|C<3>}	105.8240	0.000	1	105.8240	0.000	1	105.8240	0.000	1	105.8240	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:C-3:	C[6a]-3:O[5]-2:N[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5])	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C){4|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO){5|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5]){2|H<1>,5|C<3>}	105.1330	0.000	1	105.1330	0.000	1	105.0030	0.034	2	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:C-3:	C[6a]-3:O[5]-2:N[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5])	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C){4|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CC[6a]O){5|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5]){2|H<1>,5|C<3>}	104.8730	0.000	1	104.8730	0.000	1	105.0030	0.034	2	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<4>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	104.5890	0.282	3	104.7827	0.086	6	104.7658	0.092	11	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<4>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	105.0420	0.000	1	104.7827	0.086	6	104.7658	0.092	11	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<4>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	104.9435	0.197	2	104.7827	0.086	6	104.7658	0.092	11	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|N<2>,3|C<3>,3|H<1>}	104.3390	0.000	1	104.7707	0.144	3	104.7658	0.092	11	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	105.0480	0.000	1	104.7707	0.144	3	104.7658	0.092	11	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|H<1>,4|C<3>}	104.9250	0.000	1	104.7707	0.144	3	104.7658	0.092	11	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Cl<1>,1|H<1>,4|C<3>}	104.3970	0.000	1	104.3970	0.000	1	104.7658	0.092	11	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]O[5]CC)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>}	N[5](C[5]O[5]CC)(N[5]C[5])(CCO){1|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Cl<1>,2|C<4>,3|C<3>}	105.0190	0.000	1	105.0190	0.000	1	104.7658	0.092	11	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	In[5]-4:N[5]-2:C-3:	C[6a]-3:O[5]-2:N[5]-2:	N[5](C[5]C[6a]O[5])(N[5]In[5]C)	N[5](In[5]O[5]SS)(N[5]C[5])(CC[6a]H)	C[5](C[6a]C[6a]2)(O[5]In[5])(N[5]N[5])	N[5](C[5]C[6a]O[5])(N[5]In[5]C){2|C<3>,2|S<2>}	N[5](In[5]O[5]SS)(N[5]C[5])(CC[6a]H){1|C<3>}	C[5](C[6a]C[6a]2)(O[5]In[5])(N[5]N[5]){2|H<1>,2|S<2>,3|C<3>}	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	105.1545	1.817	14	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	106.8270	0.000	1	106.8270	0.000	1	107.2694	0.155	5	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	107.4860	0.000	1	107.4860	0.000	1	107.2694	0.155	5	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	107.3035	0.593	2	107.3035	0.352	2	107.2694	0.155	5	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	107.4270	0.000	1	107.4270	0.000	1	107.2694	0.155	5	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]2H)(N[5]C[5])(CCO){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	107.8950	0.000	1	107.8950	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2H)(N[5]C[5])(CSS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]2H)(N[5]C[5])(CSS){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	108.0230	0.000	1	108.0230	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]CC)(N[5]C[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]CC)(N[5]C[5])(CC[6a]O){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	108.3640	0.000	1	108.3640	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5])(CCO){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.7360	0.000	1	107.7360	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5])(CC[6a]O){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.8000	0.000	1	107.8000	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	108.6980	0.000	1	108.6980	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]HH)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5])(CCO){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	107.7230	0.000	1	107.7230	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.6220	0.503	2	108.1128	0.282	6	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	108.8030	0.000	1	108.1128	0.282	6	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	108.4970	0.000	1	108.1128	0.282	6	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.0665	0.213	2	108.1128	0.282	6	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.5070	0.000	1	107.5070	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,6|C<3>}	107.5280	0.000	1	107.5280	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	107.9390	1.246	4	107.9747	0.322	47	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	108.2010	0.000	1	107.9747	0.322	47	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|O<2>,4|C<3>}	109.6900	0.000	1	107.9747	0.322	47	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	108.8430	0.000	1	107.9747	0.322	47	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	108.2010	0.000	1	107.9747	0.322	47	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.9005	0.401	39	107.9747	0.322	47	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	108.3610	0.475	2	108.2137	0.178	3	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.9190	0.000	1	108.2137	0.178	3	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	107.9680	0.000	1	107.9680	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.5980	0.304	2	107.5980	0.092	2	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.1570	0.000	1	108.1570	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	108.2750	0.000	1	108.1353	0.190	14	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.1245	0.452	13	108.1353	0.190	14	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	107.5327	0.324	3	107.5327	0.105	3	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]N)(N[5]C[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]N)(N[5]C[5])(COO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	107.8270	0.389	2	107.8270	0.151	2	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	107.7225	0.095	2	107.7225	0.009	2	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CC[6a]O){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	108.2690	0.000	1	108.2690	0.000	1	107.9845	0.251	91	107.9472	0.269	96	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:N[5]-3:	C[5,5,6]-4:N[5]-2:C-3:	C[5,5,6]-4:N[5]-2:O-1:	N[5](C[5]C[5,5,6]O)(N[5]C[5,5,6]C)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CCC)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]N[5])(O)	N[5](C[5]C[5,5,6]O)(N[5]C[5,5,6]C){2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]N[5])(O){1|C<3>,2|H<1>,3|C<4>}	107.8730	0.000	1	107.8730	0.000	1	107.6530	0.036	3	107.3352	0.264	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:N[5]-3:	C[5,5,6]-4:N[5]-2:C-3:	C[5,5,6]-4:N[5]-2:O-1:	N[5](C[5]C[5,5,6]O)(N[5]C[5,5,6]C)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CC[5a]C)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]N[5])(O)	N[5](C[5]C[5,5,6]O)(N[5]C[5,5,6]C){2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CC[5a]C){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]N[5])(O){1|C<3>,2|H<1>,3|C<4>}	107.5430	0.000	2	107.5430	0.000	2	107.6530	0.036	3	107.3352	0.264	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:N[5]-2:O-1:	N[5](C[5]C[5,5]O)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CC[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(O)	N[5](C[5]C[5,5]O)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CC[6a]2){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	107.3352	0.264	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(CCO)	C[5](C[5]C[5]HH)(N[5]N[5])(H)	N[5](C[5]C[5]H)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5])(CCO){3|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(H){1|H<1>,2|C<3>}	106.3650	0.000	1	106.3650	0.000	1	106.3650	0.000	1	107.3352	0.264	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]H)	C[5](C[5]C[5]HH)(N[5]N[5])(O)	N[5](C[5]C[5]O)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(O){1|H<1>,2|C<3>}	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	107.3352	0.264	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:O-2:	N[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]H)	C[5](C[5]C[5]HH)(N[5]N[5])(OB)	N[5](C[5]C[5]O)(N[5]C[5]C){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(OB){1|C<3>,2|H<1>}	105.8790	0.000	1	105.8790	0.000	1	105.8790	0.000	1	105.8790	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:3:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-3:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[5]C[5]HH)(N[5]N[5])(CCH)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5])(CCH){1|H<1>,2|C<3>}	107.9048	0.256	5	107.9048	0.066	5	107.9048	0.066	5	107.9048	0.066	5	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CC)(N[5]C[5])(CNN)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(N[5]C[5])(CNN){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,2|C<4>}	107.8840	0.000	1	107.8840	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]O)	C[5](C[5]C[5]HH)(N[5]N[5])(CF3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]O){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CF3){1|C<3>,1|C<4>,1|H<1>}	107.2800	0.000	1	107.2800	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CN)(N[5]C[5])(CNN)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[5]CN)(N[5]C[5])(CNN){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<3>}	107.7020	0.000	1	107.7020	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CO)(N[5]C[5])(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CO)(N[5]C[5])(CC[6a]O){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>}	107.5110	0.417	3	107.5110	0.174	3	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CO)(N[5]C[5])(CNS)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5]CO)(N[5]C[5])(CNS){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>}	107.2380	0.000	1	107.2380	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	107.3740	0.000	1	107.3740	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	107.6060	0.000	1	107.6060	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNN)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNN){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	107.2330	0.000	1	107.2330	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	106.4420	0.000	1	106.4420	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|O<2>,2|C<3>}	107.5003	0.089	3	107.5003	0.008	3	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|O<2>,2|C<3>}	107.3210	0.000	1	107.3210	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CNS)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CNS){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|O<2>,2|C<3>}	108.1180	0.000	1	108.1180	0.000	1	107.4520	0.151	16	107.4520	0.151	16	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:3:2:	C[5]-3:N[5]-3:	C[5,5,6,6]-4:N[5]-2:C-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(N[5]C[5])(CC[6a]O)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5])	N[5](C[5]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C){1|N<2>,2|C<4>,3|C<3>}	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(N[5]C[5])(CC[6a]O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5]){1|C<4>,2|H<1>,8|C<3>}	109.2300	0.000	1	109.2300	0.000	1	109.2300	0.000	1	109.2300	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:2:4:	2:2:4:	N[5]-3:C[5]-3:	Si[5]-4:N[5]-2:C-4:	O[5]-2:N[5]-2:C-4:	N[5](N[5]Si[5]C)(C[5]O[5]C)	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH)	C[5](O[5]Si[5])(N[5]N[5])(CH3)	N[5](N[5]Si[5]C)(C[5]O[5]C){1|C<4>,1|O<2>}	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH){1|C<4>}	C[5](O[5]Si[5])(N[5]N[5])(CH3){1|O<2>,2|C<4>}	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	2:2:1:	C[5]-3:N[5]-3:	B-4:C[5]-3:N[5]-2:	N[5]-2:P[5]-2:H-1:	N[5](C[5]P[5]H)(N[5]C[5]B)	N[5](BC[6a]N[5]2)(C[5]P[5]H)(N[5]C[5])	C[5](N[5]N[5])(P[5]C[5])(H)	N[5](C[5]P[5]H)(N[5]C[5]B){1|H<1>}	N[5](BC[6a]N[5]2)(C[5]P[5]H)(N[5]C[5]){1|H<1>}	C[5](N[5]N[5])(P[5]C[5])(H){1|B<4>,1|H<1>}	109.8247	0.658	3	109.8247	0.433	3	109.8247	0.433	3	109.8247	0.433	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[3x6]-4:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[3x6]C[5])(C[5]N[5]H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Ir)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](N[5]C[3x6]C[5])(C[5]N[5]H){1|Ir<6>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Ir)(N[5]C[5]){4|C<4>,7|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Ir<6>,1|C<4>}	103.9060	0.553	2	103.9060	0.306	2	103.9060	0.306	2	103.0427	0.540	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6]-4:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[5]C[6])(C[5]N[5]H)	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](N[5]C[5]C[6])(C[5]N[5]H){1|Pd<4>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(N[5]C[5]){4|C<4>,4|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	102.9177	0.675	23	102.9177	0.455	23	102.9177	0.455	23	103.0427	0.540	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[6]-4:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:O-1:	N[5](N[5]C[5]C[6])(C[5]N[5]O)	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(O)	N[5](N[5]C[5]C[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5]C)(N[5]N[5])(O){1|C<4>,1|O<1>}	104.1910	0.000	1	104.1910	0.000	1	104.1910	0.000	1	103.0427	0.540	26	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:S[5]-2:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5])	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5]){1|N<3>,1|S<2>,4|C<3>}	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	112.6375	0.228	2	112.3880	0.213	3	112.3880	0.213	3	112.5800	0.289	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:S[5]-2:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5])	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5]){1|N<3>,1|S<2>,4|C<3>}	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	111.8890	0.000	1	112.3880	0.213	3	112.3880	0.213	3	112.5800	0.289	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:2:	N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:S[5]-2:N[5]-2:	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]S[5])	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(S[5]C[5,6])(N[5]N[5])	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]S[5]){1|N<3>,5|C<3>}	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(S[5]C[5,6])(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	112.5800	0.289	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(COO)	N[5](N[5]C[6a]C[5])(C[5]N[5]C){1|C<4>,4|C<3>}	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(COO){1|C<4>,4|C<3>}	105.3940	0.208	2	105.3940	0.043	2	105.3940	0.043	2	105.3940	0.043	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:4:	C[5]-3:N[5]-3:	B-4:C[5]-3:N[5]-2:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]C[5]B)	N[5](BN[5a]N[5]Rh)(C[5]N[5]S)(N[5]C[5])	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]C[5]B){1|C<4>,1|S<2>}	N[5](BN[5a]N[5]Rh)(C[5]N[5]S)(N[5]C[5]){2|C<4>}	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<2>}	104.5695	1.088	2	104.5695	1.184	2	104.5695	1.184	2	105.5817	0.471	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]P)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Ce<13>,1|O<2>,1|P<5>,2|C<3>}	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[5](C[5]C[5]P)(N[5]N[5])(CH3){1|Ce<13>,1|C<3>,1|O<2>}	105.5823	0.184	3	105.5450	0.028	4	105.7842	0.171	10	105.5817	0.471	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]P)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Ce<16>,1|O<2>,1|P<5>,2|C<3>}	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[5](C[5]C[5]P)(N[5]N[5])(CH3){1|Ce<16>,1|C<3>,1|O<2>}	105.4330	0.000	1	105.5450	0.028	4	105.7842	0.171	10	105.5817	0.471	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]GdO)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Gd<14>,1|C<4>,1|O<2>,2|C<3>}	N[5](C[5]C[5]GdO)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Gd<14>,1|C<3>,1|O<2>}	105.9020	0.793	2	105.9020	0.629	2	105.7842	0.171	10	105.5817	0.471	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]TbO)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Tb<14>,1|C<4>,1|O<2>,2|C<3>}	N[5](C[5]C[5]TbO)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Tb<14>,1|C<3>,1|O<2>}	105.8310	0.014	2	105.8310	0.000	2	105.7842	0.171	10	105.5817	0.471	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]TmO)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Tm<14>,1|C<4>,1|O<2>,2|C<3>}	N[5](C[5]C[5]TmO)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Tm<14>,1|C<3>,1|O<2>}	106.0980	0.605	2	106.0980	0.366	2	105.7842	0.171	10	105.5817	0.471	12	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|C<4>,6|C<3>}	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	107.1570	0.185	2	107.1570	0.034	2	107.1570	0.034	2	106.3470	0.614	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<2>,3|H<1>,6|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	106.3500	0.000	1	105.9420	0.356	4	105.9420	0.356	4	106.3470	0.614	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,3|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	106.2330	0.000	1	105.9420	0.356	4	105.9420	0.356	4	106.3470	0.614	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){7|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<2>,2|H<1>,6|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	106.1270	0.000	1	105.9420	0.356	4	105.9420	0.356	4	106.3470	0.614	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){7|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	105.0580	0.000	1	105.9420	0.356	4	105.9420	0.356	4	106.3470	0.614	6	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S[5])(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]2){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S[5])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.7370	0.000	1	108.7293	0.044	3	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.7255	0.296	2	108.7293	0.044	3	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,5|C<3>}	109.6830	0.000	1	109.6830	0.000	1	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,4|C<3>}	108.8030	0.000	1	108.8030	0.000	1	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	108.4100	0.000	1	109.0545	0.138	31	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	109.4770	0.000	1	109.0545	0.138	31	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|F<1>,4|C<3>}	109.1787	0.189	3	109.0545	0.138	31	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	108.8260	0.000	1	109.0545	0.138	31	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	109.0576	0.375	25	109.0545	0.138	31	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	108.8190	0.000	1	108.8190	0.000	1	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|N<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.8287	0.120	3	107.8287	0.014	3	108.9417	0.233	40	108.9041	0.285	41	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:1:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:Br-1:	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(Br)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(Br){5|C<3>}	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	107.7453	0.124	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:1:	N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:Br-1:	N[5](N[5]C[5,6]C[6a])(C[5]C[5]Br)	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(Br)	N[5](N[5]C[5,6]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(Br){5|C<3>}	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	107.7453	0.124	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:1:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(H){1|H<1>,2|C<3>}	107.8980	0.000	1	107.8980	0.000	1	107.8980	0.000	1	107.7453	0.124	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:3:	N[5]-3:C[5]-3:	C[5,5,6]-4:C[6a]-3:N[5]-2:	C[5,5,6]-4:N[5]-2:C-3:	N[5](N[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5,6]C[5,5,6]2H)(N[5]N[5])(CCO)	N[5](N[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]N[5])(CCO){1|C<3>,2|H<1>,3|C<4>}	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.0385	1.071	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:3:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-3:	N[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(COO)	N[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C){2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	109.0385	1.071	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:3:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:C-3:	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]HH)(N[5]N[5])(COO)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(N[5]N[5])(COO){1|C<4>,2|C<3>}	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	109.0385	1.071	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:3:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(CCH)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<3>,2|N<2>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5])(CCH){1|H<1>,2|C<3>}	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	109.0385	1.071	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	107.9140	0.610	2	107.9140	0.372	2	107.8660	0.130	4	107.8660	0.130	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:4:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	107.8180	0.092	2	107.8180	0.008	2	107.8660	0.130	4	107.8660	0.130	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a])	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a]){1|H<1>,3|C<4>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,3|C<3>,5|H<1>}	109.5400	0.000	1	109.5400	0.000	1	110.0433	0.197	3	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a])	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a]){2|H<1>,6|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.2950	0.116	2	110.2950	0.013	2	110.0433	0.197	3	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C[6a])	N[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C[6a]){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,3|H<1>,5|C<3>}	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|N<3>,2|C<4>,5|C<3>}	N[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){3|H<1>,6|C<3>}	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	109.1717	0.643	3	109.1717	0.414	3	109.3966	0.484	5	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	109.1310	0.000	1	109.1310	0.000	1	109.3966	0.484	5	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,1|N<3>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	110.3370	0.000	1	110.3370	0.000	1	109.3966	0.484	5	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	109.2210	0.000	1	109.6140	0.309	2	109.6448	0.109	4	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){5|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	110.0070	0.000	1	109.6140	0.309	2	109.6448	0.109	4	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[5]C[6]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	N[5](C[5,6]C[5]C[6]N[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,2|H<1>,6|C<3>}	109.7630	0.000	1	109.7630	0.000	1	109.6448	0.109	4	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	N[5](C[5,6]C[6,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,7|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,5|C<3>}	109.5880	0.000	1	109.5880	0.000	1	109.6448	0.109	4	109.5631	0.337	15	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:4:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C-4:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C){1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5]){3|C<3>}	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[5]-3:N[5]-2:H-1:	N[5](C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]C[5]H)(N[5]C[5]S){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(H){1|C<3>,1|H<1>,1|S<4>}	106.7700	0.000	1	106.7700	0.000	1	106.7700	0.000	1	106.7700	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:3:2:	C[5]-3:N[5]-3:	C[5,6]-4:S-4:N[5]-2:	N[5,6]-3:C[6a]-3:N[5]-2:	N[5](C[5]N[5,6]C[6a])(N[5]C[5,6]S)	N[5](C[5,6]C[5a,6]N[5,6]H)(SC[6a]OO)(N[5]C[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]N[5,6]C[6a])(N[5]C[5,6]S){1|H<1>,4|C<3>}	N[5](C[5,6]C[5a,6]N[5,6]H)(SC[6a]OO)(N[5]C[5]){1|N<3>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,3|H<1>,5|C<3>}	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	108.9832	1.698	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	110.6380	0.000	1	110.6380	0.000	1	109.3353	1.803	3	108.9832	1.698	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	108.6840	1.030	2	108.6840	1.060	2	109.3353	1.803	3	108.9832	1.698	4	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	108.3480	0.000	1	108.3480	0.000	1	108.2760	0.011	3	108.2760	0.011	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	108.1570	0.000	1	108.1570	0.000	1	108.2760	0.011	3	108.2760	0.011	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	108.3230	0.000	1	108.3230	0.000	1	108.2760	0.011	3	108.2760	0.011	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	4:2:1:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[5]-4:N[5]-2:H-1:	N[5](C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[5]HH)(SC[6a]OO)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(H)	N[5](C[5]C[5]H)(N[5]C[5]S){4|H<1>}	N[5](C[5]C[5]HH)(SC[6a]OO)(N[5]C[5]){3|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(H){1|S<4>,2|H<1>}	106.5920	0.000	1	106.5920	0.000	1	107.1295	0.578	2	107.1295	0.578	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	4:2:1:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[5]-4:N[5]-2:H-1:	N[5](C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(H)	N[5](C[5]C[5]H)(N[5]C[5]S){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(H){1|C<3>,1|H<1>,1|S<4>}	107.6670	0.000	1	107.6670	0.000	1	107.1295	0.578	2	107.1295	0.578	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]S){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|S<4>,2|C<4>}	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	4:3:2:	C[5]-3:N[5]-3:	C[5,5]-4:S-4:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S)	N[5](C[5,5]C[5,6a]C[5]2)(SC[6a]OO)(N[5]C[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S){2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(SC[6a]OO)(N[5]C[5]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,2|H<1>,4|C<3>}	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.3250	0.001	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	4:4:2:	4:3:2:	C[5]-3:N[5]-3:	C[5,6]-4:S-4:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5,6]S)	N[5](C[5,6]C[5]C[6]2)(SC[6a]OO)(N[5]C[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(SC[6a]OO)(N[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	107.3250	0.001	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	2:2:2:	C[5]-3:N[5]-3:	P[5]-5:N[5]-2:C-3:	N[5]-2:O[5]-2:O-2:	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO)	C[5](N[5]N[5])(O[5]P[5])(OC)	N[5](C[5]O[5]O)(N[5]P[5]C){1|C<3>,2|O<2>}	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	C[5](N[5]N[5])(O[5]P[5])(OC){2|C<3>,2|O<2>}	104.4565	0.457	2	104.4565	0.209	2	105.3147	0.525	10	105.3147	0.525	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	2:2:2:	C[5]-3:N[5]-3:	P[5]-5:N[5]-2:C-3:	N[5]-2:O[5]-2:O-2:	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	C[5](N[5]N[5])(O[5]P[5])(OC)	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<3>,2|O<2>}	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|C<3>,1|N<2>,1|O<2>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<3>,2|O<2>}	104.2560	0.000	1	105.3760	1.030	3	105.3147	0.525	10	105.3147	0.525	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	2:2:2:	C[5]-3:N[5]-3:	P[5]-5:N[5]-2:C-3:	N[5]-2:O[5]-2:O-2:	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	C[5](N[5]N[5])(O[5]P[5])(OC)	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<3>,2|O<2>}	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<3>,2|O<2>}	105.9360	0.423	2	105.3760	1.030	3	105.3147	0.525	10	105.3147	0.525	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	2:2:2:	C[5]-3:N[5]-3:	P[5]-5:N[5]-2:C-3:	N[5]-2:O[5]-2:O-2:	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO)	C[5](N[5]N[5])(O[5]P[5])(OC)	N[5](C[5]O[5]O)(N[5]P[5]C){1|Cl<1>,2|O<2>}	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO){1|O<2>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|Cl<1>,1|C<3>,2|O<2>}	105.8610	0.000	1	105.8610	0.000	1	105.3147	0.525	10	105.3147	0.525	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	2:2:2:	C[5]-3:N[5]-3:	P[5]-5:N[5]-2:C-3:	N[5]-2:O[5]-2:O-2:	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	C[5](N[5]N[5])(O[5]P[5])(OC)	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<2>,2|O<2>}	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<2>,2|O<2>}	105.2665	0.183	2	105.5613	0.143	4	105.3147	0.525	10	105.3147	0.525	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	2:2:2:	C[5]-3:N[5]-3:	P[5]-5:N[5]-2:C-3:	N[5]-2:O[5]-2:O-2:	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	C[5](N[5]N[5])(O[5]P[5])(OC)	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<3>,2|O<2>}	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<3>,2|O<2>}	105.8560	0.219	2	105.5613	0.143	4	105.3147	0.525	10	105.3147	0.525	10	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	2:2:3:	N[5]-3:C[5]-3:	Ga[3x5]-5:N[5]-2:C-3:	S[5]-2:N[5]-2:N-3:	N[5](N[5]Ga[3x5]C)(C[5]S[5]N)	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C)	C[5](S[5]Ga[3x5])(N[5]N[5])(NC[6a]H)	N[5](N[5]Ga[3x5]C)(C[5]S[5]N){1|S<2>,2|N<3>}	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,4|C<3>}	C[5](S[5]Ga[3x5])(N[5]N[5])(NC[6a]H){1|C<3>,1|S<2>,2|N<3>}	113.3350	0.000	1	113.3350	0.000	1	113.3350	0.000	1	113.3350	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	2:2:4:	N[5]-3:C[5]-3:	Si[5,5]-5:N[5]-2:C-3:	O[5]-2:N[5]-2:C-4:	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H)	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<2>,2|C<4>}	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	107.0785	0.015	2	107.0785	0.000	2	107.0785	0.000	2	107.3017	0.150	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	2:2:4:	N[5]-3:C[5]-3:	Si[5,6]-5:N[5]-2:C-3:	O[5]-2:N[5]-2:C-4:	N[5](N[5]Si[5,6]C)(C[5]O[5]C)	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO)	C[5](O[5]Si[5,6])(N[5]N[5])(CH3)	N[5](N[5]Si[5,6]C)(C[5]O[5]C){1|H<1>,2|N<3>}	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO){1|C<4>,4|C<3>}	C[5](O[5]Si[5,6])(N[5]N[5])(CH3){1|C<3>,1|H<1>,2|N<3>}	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	107.3017	0.150	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:3:	3:2:2:	C[5]-3:N[5]-3:	Si[5,5]-5:N[5]-2:C-3:	C[6a]-3:O[5]-2:N[5]-2:	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C)	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5])	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C){1|N<4>,1|O<2>,3|C<3>}	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:2:4:	2:2:4:	N[5]-3:C[5]-3:	Si[5,5]-5:N[5]-2:C-4:	O[5]-2:N[5]-2:C-4:	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)	C[5](O[5]Si[5,5])(N[5]N[5])(CF3)	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<4>,1|O<2>}	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3){1|C<3>,1|H<1>,1|N<2>,5|C<4>}	C[5](O[5]Si[5,5])(N[5]N[5])(CF3){1|N<4>,1|O<2>,2|C<4>}	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-5:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]Gd2O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|Gd<14>,1|C<4>,1|O<3>,2|C<3>}	N[5](C[5]C[5]Gd2O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Gd<14>,1|C<3>,1|O<3>}	105.5480	0.000	1	105.5480	0.000	1	105.5917	0.081	3	105.5917	0.081	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-5:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]Tb2O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|Tb<14>,1|C<4>,1|O<3>,2|C<3>}	N[5](C[5]C[5]Tb2O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Tb<14>,1|C<3>,1|O<3>}	105.8950	0.000	1	105.8950	0.000	1	105.5917	0.081	3	105.5917	0.081	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-5:C[6a]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]Tm2O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|Tm<14>,1|C<4>,1|O<3>,2|C<3>}	N[5](C[5]C[5]Tm2O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Tm<14>,1|C<3>,1|O<3>}	105.3320	0.000	1	105.3320	0.000	1	105.5917	0.081	3	105.5917	0.081	3	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:4:2:	2:2:4:	N[5]-3:C[5]-3:	Si[5,5]-5:C-4:N[5]-2:	O[5]-2:N[5]-2:C-4:	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5])	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|N<3>,1|O<2>,2|C<4>}	107.3730	0.000	1	107.3730	0.000	1	107.9180	0.594	2	107.9180	0.594	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:	5:4:2:	2:2:4:	N[5]-3:C[5]-3:	Si[5,5]-5:C-4:N[5]-2:	O[5]-2:N[5]-2:C-4:	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5])	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|N<3>,1|O<2>,2|C<4>}	108.4630	0.000	1	108.4630	0.000	1	107.9180	0.594	2	107.9180	0.594	2	105.6089	6.410	1550	105.6381	7.508	1686
960	542	818	5:SP2_SP2_SP3	N[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:2:	N[5,5]-3:C[5]-3:	C[5,5]-4:P[5]-4:N[5]-2:	C[6a]-3:Se[5]-2:N[5]-2:	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5])	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5])	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5]){1|Se<1>,3|C<3>,3|C<4>}	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	113.6850	0.000	1	113.6850	0.000	1	113.8860	0.081	2	113.8860	0.081	2	113.8860	0.081	2	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:2:	N[5,5]-3:C[5]-3:	C[5,5]-4:P[5]-4:N[5]-2:	C[6a]-3:Se[5]-2:N[5]-2:	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5])	N[5,5](C[5,5]Se[5]C[5]H)(P[5]C[6a]C[5]Se)(N[5]C[5])	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5]){1|Se<1>,1|H<1>,2|C<4>,3|C<3>}	N[5,5](C[5,5]Se[5]C[5]H)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	114.0870	0.000	1	114.0870	0.000	1	113.8860	0.081	2	113.8860	0.081	2	113.8860	0.081	2	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5,6]	C[5]	3:3:	4:4:2:	4:3:2:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6])	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|N<3>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,3|C<3>,3|H<1>}	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	107.3105	2.099	2	107.3105	2.099	2	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5,6]	C[5]	3:3:	4:4:2:	4:3:2:	N[5,6]-3:C[5]-3:	C[5,6]-4:S[6]-4:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5])	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6]OO)(N[5]C[5])	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6])	N[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6]OO)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	106.2860	0.000	1	106.2860	0.000	1	106.2860	0.000	1	107.3105	2.099	2	107.3105	2.099	2	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5,6]	3:3:	3:3:2:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[5,6]-3:C[6]-4:N[5]-2:	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	103.9210	0.000	1	103.9210	0.000	1	103.9210	0.000	1	103.9210	0.000	1	107.4732	1.797	10	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5,6]	3:3:	4:2:4:	3:4:2:	C[5,6]-3:N[5]-3:	C[5]-4:N[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-2:	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	107.7262	0.502	6	107.7262	0.252	6	107.7262	0.252	6	107.7262	0.252	6	107.4732	1.797	10	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5,6]	3:3:	4:3:2:	4:3:2:	C[5,6]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[6]-3:N[5]-2:	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|N<3>,2|C<3>,5|H<1>}	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	107.4732	1.797	10	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5,6]	3:3:	4:3:2:	4:4:2:	C[5,6]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[6]-4:N[5]-2:	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){2|C<3>,2|H<1>,4|C<4>}	108.4345	0.228	2	108.4345	0.052	2	108.4345	0.052	2	108.4345	0.052	2	107.4732	1.797	10	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5]){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	108.5350	0.053	3	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|H<1>,2|C<4>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){3|H<1>,4|C<3>}	108.6980	0.000	1	108.6980	0.000	1	108.4845	0.091	2	108.5350	0.053	3	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	3:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5]){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	108.2710	0.000	1	108.2710	0.000	1	108.4845	0.091	2	108.5350	0.053	3	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:1:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-2:Br-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]Br)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(Br)	N[5](N[5]C[6a]C[5])(C[5]C[5]Br){1|N<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(Br){1|H<1>,2|C<3>}	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:2:4:	C[5]-3:N[5]-3:	C[5]-3:S-4:N[5]-2:	C[5,5]-4:N[5]-2:C-4:	N[5](C[5]C[5,5]C)(N[5]C[5]S)	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	N[5](C[5]C[5,5]C)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|C<4>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	106.5840	0.000	1	106.5840	0.000	1	106.5840	0.000	1	106.5840	0.000	1	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	3:4:2:	4:3:2:	N[5]-3:C[5]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:N[5]-2:	N[5](N[5]C[6a]C[5])(C[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5])	N[5](N[5]C[6a]C[5])(C[5]C[5]2){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	108.6935	0.278	2	108.6935	0.077	2	108.6935	0.077	2	108.6935	0.077	2	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	109.0230	0.000	1	109.0230	0.000	1	109.6677	0.148	6	109.6677	0.148	6	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,2|O<2>,3|C<3>}	109.7912	0.284	4	109.7966	0.061	5	109.6677	0.148	6	109.6677	0.148	6	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:1:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	109.8180	0.000	1	109.7966	0.061	5	109.6677	0.148	6	109.6677	0.148	6	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:2:4:	N[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:H-1:	C[5]-4:N[5]-2:P-4:	N[5](N[5]C[5,6]H)(C[5]C[5]P)	N[5](C[5,6]C[5]C[6]2)(N[5]C[5])(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(PO3)	N[5](N[5]C[5,6]H)(C[5]C[5]P){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5]C[6]2)(N[5]C[5])(H){1|C<4>,1|O<1>,1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(PO3){1|C<4>,1|H<1>,3|C<3>}	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:3:2:	C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	110.1580	0.000	1	109.5680	0.696	2	109.5680	0.696	2	109.5680	0.696	2	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:1:	4:3:2:	C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	108.9780	0.000	1	109.5680	0.696	2	109.5680	0.696	2	109.5680	0.696	2	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|H<1>,4|C<3>}	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	107.9720	0.000	1	107.9720	0.000	1	108.1965	0.101	2	108.1965	0.101	2	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:3:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.4210	0.000	1	108.4210	0.000	1	108.1965	0.101	2	108.1965	0.101	2	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5,5]-4:N[5]-2:O-2:	N[5](C[5]C[5,5]O)(N[5]C[5]C)	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(OC)	N[5](C[5]C[5,5]O)(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO){1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(OC){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	106.0675	0.094	2	106.0675	0.009	2	106.0675	0.009	2	106.9677	2.435	3	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-2:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]C)	C[5](C[5]C[5]HH)(N[5]N[5])(CN)	N[5](C[5]C[5]C)(N[5]C[5]C){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]C){1|C<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5])(CN){1|C<3>,2|H<1>}	108.7680	0.000	1	108.7680	0.000	1	108.7680	0.000	1	106.9677	2.435	3	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:4:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-4:	C[5a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[5a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){2|H<1>,3|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	108.7195	0.976	2	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:4:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:S-4:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CH)(N[5]C[5])(SCOO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]CH)(N[5]C[5])(SCOO){1|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.7195	0.976	2	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:4:	4:2:4:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:N[5]-2:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	C[5](C[5]C[5]HN)(N[5]N[5])(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]HN)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:2:4:	4:3:2:	C[5]-3:N[5]-3:	C[5]-4:N[5]-2:C-4:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[5,5]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5]C){2|H<1>,4|C<3>}	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3){3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,5|C<3>,5|H<1>}	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-2:C-3:	N[5](N[5]C[5,5]C[6a])(C[5]N[5]C)	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[5,5]C[6a])(N[5]N[5])(COO)	N[5](N[5]C[5,5]C[6a])(C[5]N[5]C){2|C<4>,3|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,5|C<3>,5|H<1>}	C[5](N[5]C[5,5]C[6a])(N[5]N[5])(COO){2|C<4>,3|C<3>}	106.4230	0.437	2	106.4230	0.191	2	106.4230	0.191	2	106.4230	0.191	2	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	105.8215	0.086	2	105.8215	0.007	2	105.8215	0.007	2	105.8215	0.007	2	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.2660	0.000	1	109.2660	0.000	1	109.1080	0.415	8	109.2657	0.587	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	108.3100	0.000	1	109.0854	0.479	7	109.1080	0.415	8	109.2657	0.587	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|F<1>,4|C<3>}	108.9840	0.153	2	109.0854	0.479	7	109.1080	0.415	8	109.2657	0.587	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	110.5290	0.000	1	109.0854	0.479	7	109.1080	0.415	8	109.2657	0.587	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	108.9303	0.193	3	109.0854	0.479	7	109.1080	0.415	8	109.2657	0.587	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	3:4:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5a]-3:C[5]-4:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[5a]C[5])	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5]){1|H<1>,5|C<3>}	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	109.2657	0.587	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:1:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:Br-1:	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(Br)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(Br){5|C<3>}	107.3370	0.000	1	107.5885	0.127	2	107.5885	0.127	2	108.2765	0.843	4	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:1:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:Br-1:	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(Br)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(Br){5|C<3>}	107.8400	0.000	1	107.5885	0.127	2	107.5885	0.127	2	108.2765	0.843	4	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:1:	N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-2:Br-1:	N[5](N[5]C[5,6]C[6a])(C[5]C[5]Br)	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(Br)	N[5](N[5]C[5,6]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(Br){5|C<3>}	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	108.2765	0.843	4	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:2:1:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-2:H-1:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]H)	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(H)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]H){1|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	108.2765	0.843	4	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	109.9920	0.000	1	109.8850	0.023	2	109.8850	0.023	2	109.6872	0.091	5	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	109.7780	0.000	1	109.8850	0.023	2	109.8850	0.023	2	109.6872	0.091	5	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	109.4810	0.423	2	109.4810	0.179	2	109.5553	0.106	3	109.6872	0.091	5	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	109.7040	0.000	1	109.7040	0.000	1	109.5553	0.106	3	109.6872	0.091	5	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:2:1:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[5]-3:N[5]-2:H-1:	N[5](C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]C[5]H)(N[5]C[5]S){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(H){1|C<3>,1|H<1>,1|S<4>}	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.1083	0.122	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[3]C[5]C)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[3]C[5]C)(SC[6a]OO)(N[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	107.9390	0.062	2	107.9390	0.004	2	108.0581	0.114	8	108.1083	0.122	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	107.8940	0.000	1	107.8630	0.002	2	108.0581	0.114	8	108.1083	0.122	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	107.8320	0.000	1	107.8630	0.002	2	108.0581	0.114	8	108.1083	0.122	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	108.8670	0.000	1	108.8670	0.000	1	108.0581	0.114	8	108.1083	0.122	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	108.1070	0.000	1	108.1070	0.000	1	108.0581	0.114	8	108.1083	0.122	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	107.9840	0.000	1	107.9435	0.003	2	108.0581	0.114	8	108.1083	0.122	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|H<1>,4|C<3>}	107.9030	0.000	1	107.9435	0.003	2	108.0581	0.114	8	108.1083	0.122	9	108.4660	1.705	60	108.4471	2.605	74
960	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:	4:4:2:	4:3:2:	C[5]-3:N[5]-3:	C[5,5]-4:S-4:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S)	N[5](C[5,5]C[5]3)(SC[6a]OO)(N[5]C[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(SC[6a]OO)(N[5]C[5]){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	108.4660	1.705	60	108.4471	2.605	74