941	542	941	0:SP2_SP2_SP2	N	N[5]	N	3:2:	3:3:2:	3:2:	N[5]-3:N-2:	C[5]-3:C[5]-3:N-2:	N[5]-3:N-2:	N(N[5]C[5]2)(NN[5])	N[5](C[5]N[5]H)(C[5]N[5]N)(NN)	N(N[5]C[5]2)(NN[5])	N(N[5]C[5]2)(NN[5])	N[5](C[5]N[5]H)(C[5]N[5]N)(NN){1|H<1>}	N(N[5]C[5]2)(NN[5])	110.5117	0.390	3	110.5117	0.152	3	110.5117	0.152	3	110.7194	0.174	5	111.5923	2.323	9	111.5923	2.323	9
941	542	941	0:SP2_SP2_SP2	N	N[5]	N	3:2:	3:3:2:	3:2:	N[5]-3:N-2:	C[5]-3:C[5]-3:N-2:	N[5a]-3:N-2:	N(N[5]C[5]2)(NN[5a])	N[5](C[5]N[5]H)(C[5]N[5]O)(NN)	N(N[5a]C[5a]2)(NN[5])	N(N[5]C[5]2)(NN[5a])	N[5](C[5]N[5]H)(C[5]N[5]O)(NN)	N(N[5a]C[5a]2)(NN[5])	111.0310	0.257	2	111.0310	0.066	2	111.0310	0.066	2	110.7194	0.174	5	111.5923	2.323	9	111.5923	2.323	9
941	542	941	0:SP2_SP2_SP2	N	N[5]	N	3:2:	4:4:2:	3:2:	N[5]-3:N-2:	B[5]-4:P[5]-4:N-2:	C[6a]-3:N-2:	N(N[5]B[5]P[5])(NC[6a])	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NN)	N(C[6a]C[6a]2)(NN[5])	N(N[5]B[5]P[5])(NC[6a])	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NN){1|C<4>,3|H<1>,8|C<3>}	N(C[6a]C[6a]2)(NN[5])	110.3050	0.000	1	111.3605	2.228	2	111.3605	2.228	2	112.6835	3.107	4	111.5923	2.323	9	111.5923	2.323	9
941	542	941	0:SP2_SP2_SP2	N	N[5]	N	3:2:	4:4:2:	3:2:	N[5]-3:N-2:	B[5]-4:P[5]-4:N-2:	C[6a]-3:N-2:	N(N[5]B[5]P[5])(NC[6a])	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NN)	N(C[6a]C[6a]2)(NN[5])	N(N[5]B[5]P[5])(NC[6a])	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NN){4|H<1>,8|C<3>}	N(C[6a]C[6a]2)(NN[5])	112.4160	0.000	1	111.3605	2.228	2	111.3605	2.228	2	112.6835	3.107	4	111.5923	2.323	9	111.5923	2.323	9
941	542	941	0:SP2_SP2_SP2	N	N[5]	N	3:2:	4:4:2:	3:2:	N[5]-3:N-2:	C[5]-4:C[5]-4:N-2:	C[6a]-3:N-2:	N(N[5]C[5]2)(NC[6a])	N[5](C[5]C[5]HH)2(NN)	N(C[6a]C[6a]2)(NN[5])	N(N[5]C[5]2)(NC[6a])	N[5](C[5]C[5]HH)2(NN){4|H<1>}	N(C[6a]C[6a]2)(NN[5])	114.0065	0.301	2	114.0065	0.090	2	114.0065	0.090	2	112.6835	3.107	4	111.5923	2.323	9	111.5923	2.323	9
941	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:1:	2:2:2:	2:	N[5]-3:H-1:	N[5]-2:N[5]-2:N-2:	N-2:	N(N[5]N[5]2)(H)	N[5](N[5]C[5])(N[5]N[5])(NH)	H(NN[5])	N(N[5]N[5]2)(H)	N[5](N[5]C[5])(N[5]N[5])(NH){1|Mn<6>,1|H<1>}	H(NN[5])	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1
941	542	952	0:SP2_SP2_SP3	N	N[5]	S	3:4:	3:2:2:	3:2:1:1:	N[5]-3:S-4:	C[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(N[5]C[5]S[5])(SC[6a]OO)	N[5](C[5]C[6a]C[5])(S[5]C[5])(NS)	S(C[6a]C[6a]2)(NN[5])(O)2	N(N[5]C[5]S[5])(SC[6a]OO)	N[5](C[5]C[6a]C[5])(S[5]C[5])(NS){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(NN[5])(O)2	110.1070	0.000	1	110.1070	0.000	1	110.1070	0.000	1	110.1070	0.000	1	110.7766	0.172	5	110.7766	0.172	5
941	542	952	0:SP2_SP2_SP3	N	N[5]	S	3:4:	3:3:2:	3:2:4:1:	N[5]-3:S-4:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:C-4:O-1:	N(N[5]C[5]2)(SC[6a]CO)	N[5](C[5]C[5,6a]O)2(NS)	S(C[6a]C[6a]2)(NN[5])(CH3)(O)	N(N[5]C[5]2)(SC[6a]CO)	N[5](C[5]C[5,6a]O)2(NS){2|C<3>}	S(C[6a]C[6a]2)(NN[5])(CH3)(O)	110.9440	0.206	4	110.9440	0.042	4	110.9440	0.042	4	110.9440	0.042	4	110.7766	0.172	5	110.7766	0.172	5
941	542	956	0:SP2_SP2_SP2	N	N[5]	N	3:3:	2:2:2:	2:1:1:	N[5]-3:N-3:	C[5]-2:N[5]-2:N-2:	N-2:O-1:O-1:	N(N[5]C[5]N[5])(NOO)	N[5](C[5]C[5])(N[5]N[5])(NN)	N(NN[5])(O)2	N(N[5]C[5]N[5])(NOO)	N[5](C[5]C[5])(N[5]N[5])(NN){1|H<1>,1|N<2>}	N(NN[5])(O)2	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	110.9200	16.020	20	110.9200	16.020	20
941	542	956	0:SP2_SP2_SP2	N	N[5]	N	3:3:	3:2:2:	2:1:1:	N[5]-3:N-3:	C[5]-3:N[5]-2:N-2:	N-2:O-1:O-1:	N(N[5]C[5]N[5])(NOO)	N[5](C[5]C[5]H)(N[5]N[5])(NN)	N(NN[5])(O)2	N(N[5]C[5]N[5])(NOO)	N[5](C[5]C[5]H)(N[5]N[5])(NN){1|H<1>,1|N<2>}	N(NN[5])(O)2	108.5968	2.869	8	108.6737	7.253	9	108.6737	7.253	9	111.6119	21.337	14	110.9200	16.020	20	110.9200	16.020	20
941	542	956	0:SP2_SP2_SP2	N	N[5]	N	3:3:	3:2:2:	2:1:1:	N[5]-3:N-3:	C[5]-3:N[5]-2:N-2:	N-2:O-1:O-1:	N(N[5]C[5]N[5])(NOO)	N[5](C[5]C[5]H)(N[5]N[5])(NN)	N(NN[5])(O)2	N(N[5]C[5]N[5])(NOO)	N[5](C[5]C[5]H)(N[5]N[5])(NN){1|N<2>}	N(NN[5])(O)2	109.2890	0.000	1	108.6737	7.253	9	108.6737	7.253	9	111.6119	21.337	14	110.9200	16.020	20	110.9200	16.020	20
941	542	956	0:SP2_SP2_SP2	N	N[5]	N	3:3:	3:2:2:	2:1:1:	N[5]-3:N-3:	N[5]-3:N[5]-2:N-2:	N-2:O-1:O-1:	N(N[5]N[5]2)(NOO)	N[5](N[5]N[5]H)(N[5]N[5])(NN)	N(NN[5])(O)2	N(N[5]N[5]2)(NOO)	N[5](N[5]N[5]H)(N[5]N[5])(NN)	N(NN[5])(O)2	116.9006	0.672	5	116.9006	0.452	5	116.9006	0.452	5	111.6119	21.337	14	110.9200	16.020	20	110.9200	16.020	20
941	542	956	0:SP2_SP2_SP2	N	N[5]	N	3:3:	3:3:2:	2:1:1:	N[5]-3:N-3:	C[5,5a]-3:C[5]-3:N-2:	N-2:O-1:O-1:	N(N[5]C[5,5a]C[5])(NOO)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN)	N(NN[5])(O)2	N(N[5]C[5,5a]C[5])(NOO)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN){1|C<3>,1|N<3>}	N(NN[5])(O)2	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	109.4212	1.067	5	110.9200	16.020	20	110.9200	16.020	20
941	542	956	0:SP2_SP2_SP2	N	N[5]	N	3:3:	3:3:2:	2:1:1:	N[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	N-2:O-1:O-1:	N(N[5]C[5]2)(NOO)	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NN)	N(NN[5])(O)2	N(N[5]C[5]2)(NOO)	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NN){1|C<3>,1|H<1>,1|N<2>}	N(NN[5])(O)2	110.2110	0.000	1	110.2110	0.000	1	109.7535	0.686	4	109.4212	1.067	5	110.9200	16.020	20	110.9200	16.020	20
941	542	956	0:SP2_SP2_SP2	N	N[5]	N	3:3:	3:3:2:	2:1:1:	N[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	N-2:O-1:O-1:	N(N[5]C[5]2)(NOO)	N[5](C[5]C[6a]N[5])(C[5]N[5]N)(NN)	N(NN[5])(O)2	N(N[5]C[5]2)(NOO)	N[5](C[5]C[6a]N[5])(C[5]N[5]N)(NN){1|C<3>,1|H<1>,1|N<2>}	N(NN[5])(O)2	109.0735	0.330	2	109.0735	0.109	2	109.7535	0.686	4	109.4212	1.067	5	110.9200	16.020	20	110.9200	16.020	20
941	542	956	0:SP2_SP2_SP2	N	N[5]	N	3:3:	3:3:2:	2:1:1:	N[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	N-2:O-1:O-1:	N(N[5]C[5]2)(NOO)	N[5](C[5]N[5]H)2(NN)	N(NN[5])(O)2	N(N[5]C[5]2)(NOO)	N[5](C[5]N[5]H)2(NN){1|H<1>}	N(NN[5])(O)2	110.6560	0.000	1	110.6560	0.000	1	109.7535	0.686	4	109.4212	1.067	5	110.9200	16.020	20	110.9200	16.020	20
941	562	643	0:SP2_SP2_SP3	N	Si[5,5,6]	C[6a]	4:3:	3:3:2:2:	3:3:2:	Si[5,5,6]-4:C[6a]-3:	N[5,5]-3:N[5,6]-3:S[5,6]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(Si[5,5,6]N[5,5]N[5,6]S[5,6])(C[6a]C[6a]2)	Si[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(S[5,6]S[5,6])(NC[6a])	C[6a](C[6a]C[6a]2)2(NSi[5,5,6])	N(Si[5,5,6]N[5,5]N[5,6]S[5,6])(C[6a]C[6a]2)	Si[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(S[5,6]S[5,6])(NC[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(NSi[5,5,6]){2|H<1>,5|C<3>}	145.3880	0.000	1	145.3880	0.000	1	145.3880	0.000	1	145.3880	0.000	1	145.3880	0.000	1	157.0744	106.472	5
941	562	643	0:SP2_SP2_SP3	N	Si[5]	C[6a]	4:3:	3:3:2:2:	3:3:2:	Si[5]-4:C[6a]-3:	N[5]-3:N[5]-3:N-2:S-2:	C[6a]-3:C[6a]-3:N-2:	N(Si[5]N[5]2S)(C[6a]C[6a]2)	Si[5](N[5]C[6a]C[5])2(NC[6a])(SS)	C[6a](C[6a]C[6a]2)2(NSi[5])	N(Si[5]N[5]2S)(C[6a]C[6a]2)	Si[5](N[5]C[6a]C[5])2(NC[6a])(SS){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(NSi[5]){2|H<1>,5|C<3>}	157.2810	0.000	1	157.2810	0.000	1	157.2810	0.000	1	157.2810	0.000	1	159.9960	85.057	4	157.0744	106.472	5
941	562	643	0:SP2_SP2_SP3	N	Si[5]	C[6a]	4:3:	3:3:2:3:	3:3:2:	Si[5]-4:C[6a]-3:	N[5]-3:C[5]-3:N-2:N-3:	C[6a]-3:C[6a]-3:N-2:	N(Si[5]C[5]N[5]N)(C[6a]C[6a]2)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(NSi2)	C[6a](C[6a]C[6a]C)2(NSi[5])	N(Si[5]C[5]N[5]N)(C[6a]C[6a]2)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(NSi2){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)2(NSi[5]){1|C<3>,2|H<1>}	173.5610	0.000	1	173.5610	0.000	1	173.5610	0.000	1	164.8510	151.728	2	159.9960	85.057	4	157.0744	106.472	5
941	562	643	0:SP2_SP2_SP3	N	Si[5]	C[6a]	4:3:	3:3:2:3:	3:3:2:	Si[5]-4:C[6a]-3:	N[5]-3:C[5]-3:N-2:P-3:	C[6a]-3:C[6a]-3:N-2:	N(Si[5]C[5]N[5]P)(C[6a]C[6a]2)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(PSi2)	C[6a](C[6a]C[6a]C)2(NSi[5])	N(Si[5]C[5]N[5]P)(C[6a]C[6a]2)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(PSi2){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)2(NSi[5]){1|C<3>,2|H<1>}	156.1410	0.000	1	156.1410	0.000	1	156.1410	0.000	1	164.8510	151.728	2	159.9960	85.057	4	157.0744	106.472	5
941	562	643	0:SP2_SP2_SP3	N	Si[5]	C[6a]	4:3:	3:3:2:4:	3:3:2:	Si[5]-4:C[6a]-3:	N[5]-3:C[5]-3:N-2:Si-4:	C[6a]-3:C[6a]-3:N-2:	N(Si[5]C[5]N[5]Si)(C[6a]C[6a]2)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(SiSi3)	C[6a](C[6a]C[6a]C)2(NSi[5])	N(Si[5]C[5]N[5]Si)(C[6a]C[6a]2)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(SiSi3){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)2(NSi[5]){1|C<3>,2|H<1>}	153.0010	0.000	1	153.0010	0.000	1	153.0010	0.000	1	153.0010	0.000	1	159.9960	85.057	4	157.0744	106.472	5
941	562	818	0:SP2_SP2_SP3	N	Si[5,6]	C[5]	4:3:	4:2:2:2:	3:3:2:	Si[5,6]-4:C[5]-3:	C[5,6,6]-4:N[6]-2:O[5]-2:N-2:	N[5]-3:N[5]-3:N-2:	N(Si[5,6]C[5,6,6]N[6]O[5])(C[5]N[5]2)	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5])	C[5](N[5]C[6a]C[5])2(NSi[5,6])	N(Si[5,6]C[5,6,6]N[6]O[5])(C[5]N[5]2)	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5](N[5]C[6a]C[5])2(NSi[5,6]){2|H<1>,4|C<3>}	143.4080	0.000	1	143.4080	0.000	1	143.4080	0.000	1	143.4080	0.000	1	143.4080	0.000	1	143.4080	0.000	1
941	562	880	0:SP2_SP3_SP3	N	Si[5]	Si	4:4:	3:2:3:2:	2:4:4:4:	Si[5]-4:Si-4:	N[5]-3:O[5]-2:N-3:N-2:	N-2:C-4:C-4:C-4:	N(Si[5]N[5]O[5]N)(SiC3)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi)	Si(NSi[5])(CH3)3	N(Si[5]N[5]O[5]N)(SiC3)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi){2|C<3>}	Si(NSi[5])(CH3)3	128.6690	0.000	1	128.6690	0.000	1	128.6690	0.000	1	128.6690	0.000	1	128.6690	0.000	1	128.6690	0.000	1
941	562	930	0:SP2_SP2_SP3	N	Si[5]	C	4:3:	4:4:3:2:	2:3:1:	Si[5]-4:C-3:	C[5]-4:C[5]-4:C-3:N-2:	N-2:C-3:H-1:	N(Si[5]C[5]2C)(CCH)	Si[5](C[5]C[5]Si2)2(CCH)(NC)	C(NSi[5])(CHN)(H)	N(Si[5]C[5]2C)(CCH)	Si[5](C[5]C[5]Si2)2(CCH)(NC){4|H<1>}	C(NSi[5])(CHN)(H)	136.6070	0.000	1	136.6070	0.000	1	136.6070	0.000	1	136.6070	0.000	1	136.6070	0.000	1	136.6070	0.000	1
941	610	880	0:SP2_SP3_SP3	N	B	Si	4:4:	3:2:1:1:	4:2:1:1:	B-4:Si-4:	C[5]-3:N-2:H-1:H-1:	Si-4:N-2:H-1:H-1:	N(BC[5]HH)(SiSiHH)	B(C[5]N[5]2)(NSi)(H)2	Si(SiC3)(NB)(H)2	N(BC[5]HH)(SiSiHH)	B(C[5]N[5]2)(NSi)(H)2	Si(SiC3)(NB)(H)2	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1
941	610	930	0:SP2_SP2_SP3	N	B	C	4:3:	3:3:3:2:	4:3:2:	B-4:C-3:	N[5]-3:N[5]-3:N[5]-3:N-2:	C-4:N-3:N-2:	N(BN[5]3)(CCN)	B(N[5]C[5]2)3(NC)	C(CH3)(NCC)(NB)	N(BN[5]3)(CCN)	B(N[5]C[5]2)3(NC)	C(CH3)(NCC)(NB)	132.8500	0.000	1	132.8500	0.000	1	132.8500	0.000	1	132.8500	0.000	1	132.8500	0.000	1	132.8500	0.000	1
941	610	941	0:SP2_SP2_SP3	N	B	N	4:2:	3:2:1:1:	2:1:	B-4:N-2:	C[5]-3:N-2:H-1:H-1:	N-2:N-1:	N(BC[5]HH)(NN)	B(C[5]N[5]2)(NN)(H)2	N(NB)(N)	N(BC[5]HH)(NN)	B(C[5]N[5]2)(NN)(H)2	N(NB)(N)	119.2370	0.000	1	119.2370	0.000	1	119.2370	0.000	1	119.2370	0.000	1	122.7684	23.712	13	122.7684	23.712	13
941	610	941	0:SP2_SP2_SP3	N	B	N	4:2:	3:2:2:2:	2:1:	B-4:N-2:	N[6]-3:N-2:N-2:N-2:	N-2:N-1:	N(BN[6]NN)(NN)	B(N[6]C[6,6a]C[6])(NN)3	N(NB)(N)	N(BN[6]NN)(NN)	B(N[6]C[6,6a]C[6])(NN)3	N(NB)(N)	119.1697	0.312	3	119.1697	0.097	3	119.5118	0.815	6	119.5118	0.815	6	122.7684	23.712	13	122.7684	23.712	13
941	610	941	0:SP2_SP2_SP3	N	B	N	4:2:	3:2:2:2:	2:1:	B-4:N-2:	N[6]-3:N-2:N-2:N-2:	N-2:N-1:	N(BN[6]NN)(NN)	B(N[6]C[6]2)(NN)3	N(NB)(N)	N(BN[6]NN)(NN)	B(N[6]C[6]2)(NN)3	N(NB)(N)	119.8540	1.260	3	119.8540	1.589	3	119.5118	0.815	6	119.5118	0.815	6	122.7684	23.712	13	122.7684	23.712	13
941	610	941	0:SP2_SP2_SP3	N	B	N	4:2:	3:3:2:2:	2:1:	B-4:N-2:	C[6a]-3:N[6]-3:N-2:N-2:	N-2:N-1:	N(BC[6a]N[6]N)(NN)	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	N(NB)(N)	N(BC[6a]N[6]N)(NN)	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	N(NB)(N)	121.2680	0.420	2	121.2680	0.176	2	121.2680	0.176	2	121.2680	0.176	2	122.7684	23.712	13	122.7684	23.712	13
941	610	941	0:SP2_SP2_SP3	N	B	N	4:2:	3:3:3:2:	2:2:	B-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(NN)	N(NB)(NU)	N(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(NN)	N(NB)(NU)	127.7810	0.000	1	127.7810	0.000	1	129.2862	9.921	4	129.2862	9.921	4	122.7684	23.712	13	122.7684	23.712	13
941	610	941	0:SP2_SP2_SP3	N	B	N	4:2:	3:3:3:2:	2:2:	B-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(NN)	N(NB)2	N(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(NN)	N(NB)2	130.7960	4.544	2	130.7960	20.647	2	129.2862	9.921	4	129.2862	9.921	4	122.7684	23.712	13	122.7684	23.712	13
941	610	941	0:SP2_SP2_SP3	N	B	N	4:2:	3:3:3:2:	2:2:	B-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(NN)	N(NNb[6])(NB)	N(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(NN)	N(NNb[6])(NB)	127.7720	0.000	1	127.7720	0.000	1	129.2862	9.921	4	129.2862	9.921	4	122.7684	23.712	13	122.7684	23.712	13
941	610	983	0:SP2_SP1_SP3	N	B	C	2:4:	2:1:1:1:	3:2:	C-2:B-4:	N-2:F-1:F-1:F-1:	C[6a]-3:N-2:	N(CC[6a])(BF3)	B(NC)(F)3	C(C[6a]C[6a]2)(NB)	N(CC[6a])(BF3)	B(NC)(F)3	C(C[6a]C[6a]2)(NB)	177.7270	0.000	1	177.7270	0.000	1	177.7270	0.000	1	177.7270	0.000	1	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	2:2:2:2:	2:1:	B-4:C-2:	N-2:N-2:N-2:N-2:	N-2:S-1:	N(BN3)(CS)	B(NC)4	C(NB)(S)	N(BN3)(CS)	B(NC)4	C(NB)(S)	177.0015	1.691	4	177.0015	2.859	4	177.0015	2.859	4	177.0015	2.859	4	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:2:1:1:	2:1:	B-4:C-2:	C[5]-3:N-2:H-1:H-1:	N-2:O-1:	N(BC[5]HH)(CO)	B(C[5]N[5]2)(NC)(H)2	C(NB)(O)	N(BC[5]HH)(CO)	B(C[5]N[5]2)(NC)(H)2	C(NB)(O)	166.5500	0.000	1	166.5500	0.000	1	166.5500	0.000	1	167.8920	3.602	2	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:2:1:1:	2:1:	B-4:C-2:	C[5]-3:N-2:H-1:H-1:	N-2:S-1:	N(BC[5]HH)(CS)	B(C[5]N[5]2)(NC)(H)2	C(NB)(S)	N(BC[5]HH)(CS)	B(C[5]N[5]2)(NC)(H)2	C(NB)(S)	169.2340	0.000	1	169.2340	0.000	1	169.2340	0.000	1	167.8920	3.602	2	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:2:1:	3:2:	B-4:C-2:	C[6a]-3:C[6a]-3:N-2:H-1:	C-3:N-2:	N(BC[6a]2H)(CC)	B(C[6a]C[6a]2)2(NC)(H)	C(CCC)(NB)	N(BC[6a]2H)(CC)	B(C[6a]C[6a]2)2(NC)(H)	C(CCC)(NB)	175.6520	0.000	1	175.6520	0.000	1	173.9505	5.790	2	173.9505	5.790	2	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:2:1:	3:2:	B-4:C-2:	C[6a]-3:C[6a]-3:N-2:H-1:	C-3:N-2:	N(BC[6a]2H)(CC)	B(C[6a]C[6a]2)2(NC)(H)	C(CPP)(NB)	N(BC[6a]2H)(CC)	B(C[6a]C[6a]2)2(NC)(H)	C(CPP)(NB)	172.2490	0.000	1	172.2490	0.000	1	173.9505	5.790	2	173.9505	5.790	2	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	2:1:	B-4:C-2:	N[5]-3:N[5]-3:N[5]-3:N-2:	N-2:S-1:	N(BN[5]3)(CS)	B(N[5]C[5]2)3(NC)	C(NB)(S)	N(BN[5]3)(CS)	B(N[5]C[5]2)3(NC)	C(NB)(S)	168.9145	2.405	2	168.9145	5.783	2	168.9145	5.783	2	168.9145	5.783	2	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	2:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(BC[6a]3)(CN)	B(C[6a]C[6a]2)3(NC)	C(NB)(NC)	N(BC[6a]3)(CN)	B(C[6a]C[6a]2)3(NC)	C(NB)(NC)	170.8415	1.791	2	170.8415	3.208	2	170.8415	3.208	2	170.8415	3.208	2	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	3:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C-3:N-2:	C-3:N-2:	N(BC[6a]2C)(CC)	B(C[6a]C[6a]2)2(CCS)(NC)	C(CCH)(NB)	N(BC[6a]2C)(CC)	B(C[6a]C[6a]2)2(CCS)(NC)	C(CCH)(NB)	176.6630	0.000	1	176.6630	0.000	1	176.6630	0.000	1	175.8243	2.496	3	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	3:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CCH)(NB)	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CCH)(NB)	176.8080	0.000	1	176.8080	0.000	1	176.8080	0.000	1	175.8243	2.496	3	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	3:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(BC[6a]3)(CC[6a])	B(C[6a]C[6a]2)3(NC)	C(C[6a]C[6a]2)(NB)	N(BC[6a]3)(CC[6a])	B(C[6a]C[6a]2)3(NC)	C(C[6a]C[6a]2)(NB)	174.0020	0.000	1	174.0020	0.000	1	174.0020	0.000	1	175.8243	2.496	3	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	4:2:	B-4:C-2:	C[5]-3:C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(BC[6a]2C[5])(CC)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C(CC3)(NB)	N(BC[6a]2C[5])(CC)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C(CC3)(NB)	169.5685	1.175	2	169.5685	1.379	2	169.5685	1.379	2	173.0194	17.435	13	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	4:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	B-4:N-2:	N(BC[6a]3)(CB)	B(C[6a]C[6a]2)3(NC)	C(BC[6a]3)(NB)	N(BC[6a]3)(CB)	B(C[6a]C[6a]2)3(NC)	C(BC[6a]3)(NB)	173.5510	0.000	1	173.5510	0.000	1	173.5510	0.000	1	173.0194	17.435	13	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	4:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CH3)(NB)	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CH3)(NB)	173.6405	5.779	4	173.6405	33.396	4	173.1104	19.107	9	173.0194	17.435	13	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	4:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CNiCH)(NB)	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CNiCH)(NB)	174.3780	0.000	1	174.3780	0.000	1	173.1104	19.107	9	173.0194	17.435	13	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	4:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CZrCC)(NB)	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CZrCC)(NB)	171.3973	4.363	3	171.3973	19.034	3	173.1104	19.107	9	173.0194	17.435	13	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	4:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CZrPP)(NB)	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C(CZrPP)(NB)	174.8620	0.000	1	174.8620	0.000	1	173.1104	19.107	9	173.0194	17.435	13	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:3:2:	4:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	Ge[5]-4:N-2:	N(BC[6a]3)(CGe[5])	B(C[6a]C[6a]2)3(NC)	C(Ge[5]Si[5]2Cu)(NB)	N(BC[6a]3)(CGe[5])	B(C[6a]C[6a]2)3(NC)	C(Ge[5]Si[5]2Cu)(NB)	178.5700	0.000	1	178.5700	0.000	1	178.5700	0.000	1	173.0194	17.435	13	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	3:3:4:2:	4:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C-4:N-2:	C-4:N-2:	N(BC[6a]2C)(CC)	B(C[6a]C[6a]2)2(CCHH)(NC)	C(CH3)(NB)	N(BC[6a]2C)(CC)	B(C[6a]C[6a]2)2(CCHH)(NC)	C(CH3)(NB)	173.5110	0.000	1	173.5110	0.000	1	173.5110	0.000	1	173.5110	0.000	1	173.4899	15.909	31	173.4899	15.909	31
941	610	983	0:SP2_SP1_SP3	N	B	C	4:2:	4:4:4:2:	4:2:	B-4:C-2:	C-4:C-4:C-4:N-2:	N-4:N-2:	N(BC3)(CN)	B(CCHH)3(NC)	C(NRu3)(NB)	N(BC3)(CN)	B(CCHH)3(NC)	C(NRu3)(NB)	179.0220	0.000	1	179.0220	0.000	1	179.0220	0.000	1	179.0220	0.000	1	173.4899	15.909	31	173.4899	15.909	31
941	618	992	0:SP2_SP2_SP3	N	B[6,6]	P	3:4:	4:4:2:	3:3:3:2:	B[6,6]-3:P-4:	C[6,6]-4:C[6,6]-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(B[6,6]C[6,6]2)(PC[6a]3)	B[6,6](C[6,6]C[6]2H)2(NP)	P(C[6a]C[6a]2)3(NB[6,6])	N(B[6,6]C[6,6]2)(PC[6a]3)	B[6,6](C[6,6]C[6]2H)2(NP){2|C<4>,8|H<1>}	P(C[6a]C[6a]2)3(NB[6,6])	130.8610	0.000	1	130.8610	0.000	1	130.8610	0.000	1	130.8610	0.000	1	130.8610	0.000	1	130.8610	0.000	1
941	630	941	0:SP2_SP2_SPD6	N	As	N	6:2:	2:2:2:2:2:2:	2:1:	As-6:N-2:	N-2:N-2:N-2:N-2:N-2:N-2:	N-2:N-1:	N(AsN5)(NN)	As(NN)6	N(NAs)(N)	N(AsN5)(NN)	As(NN)6	N(NAs)(N)	115.9580	0.454	3	115.9580	0.206	3	115.9580	0.206	3	115.9580	0.206	3	115.6933	1.263	8	115.6933	1.263	8
941	630	941	0:SP2_SP2_SPD6	N	As	N	6:2:	3:2:2:2:2:2:	2:1:	As-6:N-2:	N[6]-3:N-2:N-2:N-2:N-2:N-2:	N-2:N-1:	N(AsN[6]N4)(NN)	As(N[6]C[6]2)(NN)5	N(NAs)(N)	N(AsN[6]N4)(NN)	As(N[6]C[6]2)(NN)5	N(NAs)(N)	115.5344	1.422	5	115.5344	2.023	5	115.5344	2.023	5	115.5344	2.023	5	115.6933	1.263	8	115.6933	1.263	8
941	630	983	0:SP2_SP1_SPD6	N	As	C	2:6:	2:1:1:1:1:1:	3:2:	C-2:As-6:	N-2:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:N-2:	N(CC[6a])(AsF5)	As(NC)(F)5	C(C[6a]C[6a]2)(NAs)	N(CC[6a])(AsF5)	As(NC)(F)5	C(C[6a]C[6a]2)(NAs)	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	175.5813	26.213	4	175.5813	26.213	4
941	630	983	0:SP2_SP1_SPD6	N	As	C	2:6:	2:1:1:1:1:1:	4:2:	C-2:As-6:	N-2:F-1:F-1:F-1:F-1:F-1:	C[3]-4:N-2:	N(CC[3])(AsF5)	As(NC)(F)5	C(C[3]C[3]2H)(NAs)	N(CC[3])(AsF5)	As(NC)(F)5	C(C[3]C[3]2H)(NAs)	170.6280	0.000	1	170.6280	0.000	1	170.6280	0.000	1	170.6280	0.000	1	175.5813	26.213	4	175.5813	26.213	4
941	630	983	0:SP2_SP1_SPD6	N	As	C	6:2:	2:1:1:1:1:1:	2:1:	As-6:C-2:	N-2:F-1:F-1:F-1:F-1:F-1:	N-2:H-1:	N(AsF5)(CH)	As(NC)(F)5	C(NAs)(H)	N(AsF5)(CH)	As(NC)(F)5	C(NAs)(H)	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	175.5813	26.213	4	175.5813	26.213	4
941	630	983	0:SP2_SP1_SPD6	N	As	C	6:2:	2:1:1:1:1:1:	4:2:	As-6:C-2:	N-2:F-1:F-1:F-1:F-1:F-1:	C-4:N-2:	N(AsF5)(CC)	As(NC)(F)5	C(CCHH)(NAs)	N(AsF5)(CC)	As(NC)(F)5	C(CCHH)(NAs)	171.6990	0.000	1	171.6990	0.000	1	171.6990	0.000	1	171.6990	0.000	1	175.5813	26.213	4	175.5813	26.213	4
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:N-2:	N(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	129.6625	1.563	2	129.6625	2.444	2	129.6625	2.444	2	129.6625	2.444	2	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	122.3810	1.452	2	122.3810	2.109	2	124.5817	13.340	4	127.2929	25.210	11	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<2>,1|C<3>,1|H<1>}	123.7380	0.000	1	126.7825	18.538	2	124.5817	13.340	4	127.2929	25.210	11	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	129.8270	0.000	1	126.7825	18.538	2	124.5817	13.340	4	127.2929	25.210	11	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(O[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(O[6a]C[6a])(NC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	122.4970	0.000	1	122.4970	0.000	1	122.4970	0.000	1	127.2929	25.210	11	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	132.0120	0.000	1	131.8840	0.195	5	129.8997	23.782	6	127.2929	25.210	11	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	131.2940	0.000	1	131.8840	0.195	5	129.8997	23.782	6	127.2929	25.210	11	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	131.8920	0.000	1	131.8840	0.195	5	129.8997	23.782	6	127.2929	25.210	11	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){2|Cl<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	132.1110	0.560	2	131.8840	0.195	5	129.8997	23.782	6	127.2929	25.210	11	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	119.9780	0.000	1	119.9780	0.000	1	129.8997	23.782	6	127.2929	25.210	11	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[6a]-2:N[6a]-2:N-2:	N(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](N[6a]C[6a])2(NC[6a])	N(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]){1|C<3>,2|H<1>}	123.2320	1.877	2	123.2320	3.522	2	123.2320	3.522	2	123.2320	3.522	2	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	131.5550	0.000	1	131.5550	0.000	1	131.5550	0.000	1	127.3170	35.921	2	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	123.0790	0.000	1	123.0790	0.000	1	123.0790	0.000	1	127.3170	35.921	2	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N-2:	N(C[6a]C[5a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	N(C[6a]C[5a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	132.6450	0.000	1	132.6450	0.000	1	132.6450	0.000	1	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	123.6510	0.000	1	123.6510	0.000	1	123.6510	0.000	1	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a]){1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	123.2820	0.000	1	123.2820	0.000	1	123.2820	0.000	1	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	123.8050	2.448	2	123.8050	5.993	2	123.8050	5.993	2	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	120.4405	0.237	2	120.4405	0.056	2	120.4405	0.056	2	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	132.1330	0.000	1	132.1330	0.000	1	132.1330	0.000	1	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	122.1946	1.138	8	122.1946	1.296	8	123.2499	4.446	21	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	122.7518	0.745	4	123.2924	1.035	10	123.2499	4.446	21	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	123.6528	1.068	6	123.2924	1.035	10	123.2499	4.446	21	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC[6a]){1|H<1>,2|C<3>}	130.6790	0.000	1	130.6790	0.000	1	123.2499	4.446	21	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|H<1>,1|O<3>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	121.7780	0.000	1	121.7780	0.000	1	123.2499	4.446	21	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|O<2>}	125.3100	0.000	1	125.3100	0.000	1	123.2499	4.446	21	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	118.7280	0.000	1	118.7280	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	121.1400	0.000	1	120.9090	0.107	2	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	120.6780	0.000	1	120.9090	0.107	2	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	129.1680	0.000	1	129.1680	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|C<4>}	123.5695	2.039	2	123.5695	4.156	2	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]Cl)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]){1|C<3>,2|H<1>}	122.6918	1.051	5	122.6918	1.105	5	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	125.1250	0.000	1	125.1250	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]){2|H<1>,3|C<3>}	128.9120	0.000	1	128.9120	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(NC[6a]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	129.4720	0.000	1	129.4720	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(NC[6a])	C[6a](C[6a]C[6a]F)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(NC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(NC[6a]){1|C<3>,2|F<1>}	121.3575	0.523	2	121.3575	0.273	2	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	121.8340	0.000	1	121.8340	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	124.3120	3.810	2	121.8307	9.556	6	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	121.2990	2.093	3	121.8307	9.556	6	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	118.4630	0.000	1	121.8307	9.556	6	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	124.5010	0.000	1	124.5010	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]){1|C<3>,2|H<1>}	121.4080	0.000	1	121.4080	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	127.6610	7.071	2	122.8377	14.338	9	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	121.7832	0.858	5	122.8377	14.338	9	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|O<2>}	120.6505	0.323	2	122.8377	14.338	9	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	123.5980	0.000	1	123.5980	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	125.5863	2.856	4	132.3932	296.332	6	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	124.7800	0.000	1	132.3932	296.332	6	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|N<2>,2|H<1>}	167.2340	0.000	1	132.3932	296.332	6	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]N)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)2(NC[6a]){1|C<3>,2|H<1>}	127.2415	1.402	4	127.2415	1.967	4	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N)2(NC[6a])	C[6a](C[6a]C[6a]N)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)2(NC[6a]){1|C<3>,2|H<1>}	136.4325	6.748	2	136.4325	45.534	2	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]C)2(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]){1|Ir<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	119.8600	0.000	1	119.8600	0.000	1	125.0094	56.397	48	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a])	C[6a](C[6a]C[6a]H)2(NC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a]){1|C<4>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	125.5670	0.000	1	125.5670	0.000	1	125.5670	0.000	1	124.5444	38.346	78	125.0012	35.969	95	125.0012	35.969	95
941	643	651	0:SP2_SP2_SP2	N	C[6a]	Si[5a]	3:3:	3:3:2:	3:3:2:	Si[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N[5a]-3:N-2:	N(Si[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(NSi[5a])	Si[5a](N[5a]C[5a]C[6a])2(NC[6a])	N(Si[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(NSi[5a]){2|H<1>,5|C<3>}	Si[5a](N[5a]C[5a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	176.6900	0.000	1	176.6900	0.000	1	176.6900	0.000	1	176.6900	0.000	1	176.6900	0.000	1	176.6900	0.000	1
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	2:2:2:	3:2:2:	C[5a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	C[5a]-3:N[5a]-2:N-2:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NC[6a])	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]){2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NC[6a]){1|C<3>,1|N<2>}	125.8170	0.000	1	125.8170	0.000	1	125.8170	0.000	1	125.8170	0.000	1	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	2:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	123.4971	1.477	10	123.4971	2.183	10	123.1854	2.122	13	123.1854	2.122	13	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	2:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	121.9750	0.000	1	121.9750	0.000	1	123.1854	2.122	13	123.1854	2.122	13	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	2:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	122.2320	1.249	2	122.2320	1.559	2	123.1854	2.122	13	123.1854	2.122	13	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	122.4428	0.535	4	123.8679	7.106	13	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	125.4480	0.000	1	123.8679	7.106	13	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	127.5790	1.062	2	123.8679	7.106	13	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|N<2>,1|O<2>,2|C<3>}	127.0810	0.240	2	123.8679	7.106	13	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	121.8385	0.127	2	123.8679	7.106	13	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	121.0335	0.310	2	123.8679	7.106	13	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	121.0684	2.240	5	121.0877	3.083	8	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	120.2010	0.000	1	121.0877	3.083	8	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|F<1>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	121.5795	0.489	2	121.0877	3.083	8	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	120.6820	0.000	1	120.6820	0.000	1	122.7121	7.117	22	122.7121	7.117	22	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-2:O[5a]-2:N-2:	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a])	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]){1|H<1>}	126.4420	0.000	1	126.4420	0.000	1	126.4420	0.000	1	126.4420	0.000	1	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:O[5a]-2:N-2:	N(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC[6a])	N(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC[6a]){1|H<1>,3|C<3>}	126.4250	0.000	1	126.4250	0.000	1	126.4250	0.000	1	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]){1|C<4>,1|H<1>}	128.6430	2.659	2	128.6430	7.069	2	126.6937	7.448	4	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a]){1|C<3>,1|C<4>}	124.9420	0.000	1	124.7445	0.078	2	126.6937	7.448	4	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a]){1|C<3>,1|H<1>}	124.5470	0.000	1	124.7445	0.078	2	126.6937	7.448	4	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:S[5a]-2:N-2:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(NC[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(NC[6a]){1|S<2>,3|C<3>}	121.2000	0.000	1	121.2000	0.000	1	123.0027	2.451	6	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:S[5a]-2:N-2:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){2|H<1>}	125.7430	0.000	1	125.7430	0.000	1	123.0027	2.451	6	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:S[5a]-2:N-2:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){1|C<4>,1|H<1>}	123.0910	0.116	3	123.0910	0.013	3	123.0027	2.451	6	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:S[5a]-2:N-2:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){2|C<3>}	121.8000	0.000	1	121.8000	0.000	1	123.0027	2.451	6	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5,5a]-3:S[5a]-2:N-2:	N(C[5a]N[5,5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(S[5a]N[5a])(NC[6a])	N(C[5a]N[5,5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5,6a])(S[5a]N[5a])(NC[6a]){1|O<2>,2|C<3>}	115.5100	0.000	1	115.5100	0.000	1	115.5100	0.000	1	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a,6]-3:N[5a]-2:N-2:	N(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(NC[6a])	N(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(NC[6a]){1|C<4>,1|N<2>,2|C<3>}	123.0050	0.000	1	123.0050	0.000	1	123.0050	0.000	1	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a,6]-3:S[5a]-2:N-2:	N(C[5a]N[5a,6]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](N[5a,6]C[5a,6]C[6])(S[5a]N[5a])(NC[6a])	N(C[5a]N[5a,6]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(S[5a]N[5a])(NC[6a]){1|H<1>,2|C<3>}	121.8570	0.000	1	121.8570	0.000	1	121.8570	0.000	1	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	N(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a])	N(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a]){1|O<1>,2|C<3>,2|C<4>}	115.0450	0.000	1	115.0450	0.000	1	115.0450	0.000	1	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a])	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]){1|O<1>,3|C<3>}	120.2650	0.000	1	120.2650	0.000	1	120.4461	6.503	9	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){1|C<3>,1|O<1>}	121.4020	0.000	1	121.4020	0.000	1	120.4461	6.503	9	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]){1|O<1>,3|C<3>}	117.9993	1.768	3	117.9993	3.126	3	120.4461	6.503	9	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NC[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NC[6a]){1|C<3>,1|O<1>}	121.7450	0.000	1	122.8217	4.810	3	120.4461	6.503	9	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NC[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NC[6a]){1|C<4>,1|O<1>}	123.3600	2.807	2	122.8217	4.810	3	120.4461	6.503	9	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](N[5a]C[5a]N)(S[5a]C[5a])(NC[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]N)(S[5a]C[5a])(NC[6a]){1|C<3>,1|O<1>}	119.8850	0.000	1	119.8850	0.000	1	120.4461	6.503	9	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5a]-3:S[5a]-2:N-2:	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NC[6a]){1|C<4>,1|O<1>}	120.6870	0.000	1	120.6870	0.000	1	120.6870	0.000	1	122.0534	13.136	25	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6]-3:C[5a,6a]-3:N-2:	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a])	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	119.9170	0.000	1	119.9170	0.000	1	120.1543	1.107	7	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6]-3:C[5a,6a]-3:N-2:	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a])	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	119.8227	1.272	4	119.8227	1.618	4	120.1543	1.107	7	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6]-3:C[5a,6a]-3:N-2:	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a])	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	120.9360	0.263	2	120.9360	0.069	2	120.1543	1.107	7	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]){1|H<1>,3|C<3>}	117.9220	1.537	11	117.9220	2.362	11	120.1540	7.053	23	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	120.8605	0.257	2	120.8605	0.066	2	120.1540	7.053	23	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	120.5100	0.380	2	120.5100	0.145	2	120.1540	7.053	23	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(NC[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	122.7880	0.413	2	122.7880	0.171	2	120.1540	7.053	23	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	119.9380	0.000	1	119.9380	0.000	1	120.1540	7.053	23	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	123.9097	0.336	3	123.9097	0.113	3	120.1540	7.053	23	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(NC[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(NC[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.2550	0.000	1	123.2550	0.000	1	120.1540	7.053	23	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(NC[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	123.1600	0.000	1	123.1600	0.000	1	120.1540	7.053	23	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	122.1590	0.331	4	123.7915	6.876	8	122.0290	7.618	16	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	125.4240	2.971	4	123.7915	6.876	8	122.0290	7.618	16	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	120.5850	0.000	1	120.5850	0.000	1	122.0290	7.618	16	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	118.9772	0.765	4	118.9772	0.586	4	122.0290	7.618	16	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	121.7390	0.051	2	121.7390	0.003	2	122.0290	7.618	16	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	122.1600	0.000	1	122.1600	0.000	1	122.0290	7.618	16	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(NC[6a])	N(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(NC[6a]){1|H<1>}	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[5a]){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a]){1|C<4>,1|S<1>}	120.6390	0.000	1	120.6390	0.000	1	120.6197	6.886	3	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a]){1|C<3>,1|H<1>}	117.9860	0.000	1	117.9860	0.000	1	120.6197	6.886	3	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	123.2340	0.000	1	123.2340	0.000	1	120.6197	6.886	3	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a]){4|C<3>}	125.6900	3.472	2	125.6900	12.054	2	125.6900	12.054	2	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a]){1|C<3>,1|H<1>}	120.1460	0.000	1	120.1460	0.000	1	120.1460	0.000	1	120.9558	7.424	53	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	4:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	B[5a]-4:S[5a]-2:N-2:	N(C[5a]B[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a])	N(C[5a]B[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]){1|N<3>,5|C<3>}	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	4:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	B[5a,6,6]-4:N[5a]-3:N-2:	N(C[5a]B[5a,6,6]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a])	N(C[5a]B[5a,6,6]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	124.5450	0.000	1	124.5450	0.000	1	124.5450	0.000	1	124.7027	7.284	3	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	4:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	B[5a]-4:N[5a]-3:N-2:	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a])	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|H<1>,1|N<3>,5|C<4>}	127.4770	0.000	1	127.4770	0.000	1	124.7815	14.531	2	124.7027	7.284	3	121.9333	8.776	119	121.9333	8.776	119
941	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:	3:3:2:	4:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	B[5a]-4:N[5a]-3:N-2:	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a])	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	122.0860	0.000	1	122.0860	0.000	1	124.7815	14.531	2	124.7027	7.284	3	121.9333	8.776	119	121.9333	8.776	119
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6,6]	3:3:	3:3:2:	4:3:2:	C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[3x6]-4:C[6,6]-3:N-2:	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6,6])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a])	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6,6]){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]){1|H<1>,4|C<3>}	122.0507	2.473	8	122.0507	6.116	8	121.8356	4.566	11	121.8356	4.566	11	121.8356	4.566	11	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6,6]	3:3:	3:3:2:	4:3:2:	C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[3x6]-4:C[6,6]-3:N-2:	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6,6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a])	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6,6]){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.2620	0.864	3	121.2620	0.747	3	121.8356	4.566	11	121.8356	4.566	11	121.8356	4.566	11	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-2:	N[6]-3:S[6]-2:N-2:	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6])	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a])	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|H<1>}	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:2:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5a,6]-3:N[6]-3:N-2:	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a])	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a]){1|C<3>,1|N<2>,1|N<3>}	117.4980	0.000	1	117.4980	0.000	1	117.4980	0.000	1	127.4660	44.478	4	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	130.9365	0.906	2	130.9365	0.820	2	130.7887	0.476	3	127.4660	44.478	4	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	130.4930	0.000	1	130.4930	0.000	1	130.7887	0.476	3	127.4660	44.478	4	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:2:2:	4:2:2:	C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-2:	C[5,6]-4:N[6]-2:N-2:	N(C[6a]C[6a]N[6a])(C[6]C[5,6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NC[6a])	N(C[6a]C[6a]N[6a])(C[6]C[5,6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[6]-2:C[6]-3:N-2:	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	121.4210	0.000	1	121.4210	0.000	1	123.0058	5.995	10	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[6]-2:C[6]-3:N-2:	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6])	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a])	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6]){1|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a]){1|N<3>,2|C<3>}	121.7390	0.000	1	121.7390	0.000	1	123.0058	5.995	10	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[6]-2:C[6]-3:N-2:	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	123.1020	0.000	1	123.1020	0.000	1	123.0058	5.995	10	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[6]-2:C[6]-3:N-2:	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	123.9130	0.000	1	123.9130	0.000	1	123.0058	5.995	10	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[6]-2:C[6]-3:N-2:	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	121.3912	0.585	4	122.7920	10.067	5	123.0058	5.995	10	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[6]-2:C[6]-3:N-2:	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	128.3950	0.000	1	122.7920	10.067	5	123.0058	5.995	10	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[6]-2:C[6]-3:N-2:	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](O[6]C[6,6a])(C[6]N[6]N)(NC[6a])	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]N[6]N)(NC[6a]){2|C<3>}	125.9230	0.000	1	125.9230	0.000	1	123.0058	5.995	10	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[6]-2:N[6]-3:N-2:	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a])	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|C<4>}	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	122.6590	0.000	1	122.6590	0.000	1	123.3115	0.852	2	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[6]-2:N[6]-3:N-2:	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a])	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a]){1|O<1>,2|C<3>}	123.9640	0.000	1	123.9640	0.000	1	123.3115	0.852	2	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	S[6]-2:N[6]-3:N-2:	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a])	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	122.5090	0.024	2	123.2697	1.736	3	122.7210	1.250	6	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	S[6]-2:N[6]-3:N-2:	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a])	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	124.7910	0.000	1	123.2697	1.736	3	122.7210	1.250	6	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	S[6]-2:N[6]-3:N-2:	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	122.1723	0.697	3	122.1723	0.486	3	122.7210	1.250	6	122.9448	3.627	18	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6]-3:O[6]-2:N-2:	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|C<4>,4|C<3>}	126.3330	0.000	1	126.3330	0.000	1	121.3487	19.137	3	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6]-3:O[6]-2:N-2:	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	118.8565	1.005	2	118.8565	1.010	2	121.3487	19.137	3	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:N[6]-2:N-2:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	126.7000	0.000	1	124.0540	14.003	2	124.0540	14.003	2	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:N[6]-2:N-2:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.4080	0.000	1	124.0540	14.003	2	124.0540	14.003	2	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:O[6]-2:N-2:	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	122.4360	0.000	1	122.3690	1.223	3	122.3690	1.223	3	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:O[6]-2:N-2:	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,4|C<3>}	122.3355	1.562	2	122.3690	1.223	3	122.3690	1.223	3	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:O[6]-2:N-2:	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6])	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|C<2>,1|C<3>,1|C<4>}	123.2290	0.000	1	123.2290	0.000	1	124.1880	1.839	2	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:O[6]-2:N-2:	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|N<2>,2|C<3>}	125.1470	0.000	1	125.1470	0.000	1	124.1880	1.839	2	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:S[6]-2:N-2:	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a])	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a]){1|C<4>,2|H<1>}	121.1010	0.000	1	121.1010	0.000	1	120.5842	0.533	6	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:S[6]-2:N-2:	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	119.8245	0.371	2	120.5020	0.778	4	120.5842	0.533	6	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:S[6]-2:N-2:	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|C<4>}	121.1795	0.600	2	120.5020	0.778	4	120.5842	0.533	6	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:S[6]-2:N-2:	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(NC[6a])	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(NC[6a]){4|C<3>}	120.3960	0.000	1	120.3960	0.000	1	120.5842	0.533	6	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a,6]-3:O[6]-2:N-2:	N(C[6]N[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a])	N(C[6]N[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a]){5|C<3>}	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[6,6]-3:S[6]-2:N-2:	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a])	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a]){2|C<4>,6|H<1>}	122.3720	0.216	2	122.3720	0.047	2	122.3720	0.047	2	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:S[6]-2:N-2:	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a])	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]){1|C<4>,1|O<1>,2|H<1>}	117.3470	0.000	1	117.3470	0.000	1	117.3470	0.000	1	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-2:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	125.4820	0.000	1	125.4820	0.000	1	125.4820	0.000	1	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N[6]-2:N-2:	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a])	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a]){1|S<1>,2|C<3>,2|N<3>}	119.7640	0.000	2	119.7640	0.000	2	120.5580	1.433	4	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N[6]-2:N-2:	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	122.2950	0.000	1	121.3520	1.778	2	120.5580	1.433	4	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N[6]-2:N-2:	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|N<2>,1|N<3>,3|C<3>}	120.4090	0.000	1	121.3520	1.778	2	120.5580	1.433	4	121.7513	5.701	25	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:N-2:	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(NC[6]){1|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	125.9810	0.000	1	125.9810	0.000	1	126.0734	8.738	9	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:N-2:	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	128.5430	0.000	1	126.0850	9.985	8	126.0734	8.738	9	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:N-2:	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|C<4>,2|H<1>,4|C<3>}	121.4950	0.000	1	126.0850	9.985	8	126.0734	8.738	9	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:N-2:	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	129.7555	1.003	2	126.0850	9.985	8	126.0734	8.738	9	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:N-2:	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|S<2>,2|H<1>,4|C<3>}	122.6120	0.000	1	126.0850	9.985	8	126.0734	8.738	9	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:N-2:	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){2|H<1>,5|C<3>}	125.5063	0.940	3	126.0850	9.985	8	126.0734	8.738	9	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:N-2:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	129.3830	1.860	2	129.3830	3.458	2	124.0093	14.584	7	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:N-2:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	120.7890	0.000	1	121.8598	0.798	5	124.0093	14.584	7	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:N-2:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	122.3493	0.765	3	121.8598	0.798	5	124.0093	14.584	7	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:N-2:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	121.4620	0.000	1	121.8598	0.798	5	124.0093	14.584	7	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:N[6]-3:N-2:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	124.3930	0.000	1	124.3930	0.000	1	124.3930	0.000	1	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N[6]-3:N-2:	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a])	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	127.0350	0.000	1	127.0350	0.000	1	127.0350	0.000	1	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a,6]-3:N[6]-3:N-2:	N(C[6]N[5a,6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a])	N(C[6]N[5a,6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a]){1|N<3>,2|N<2>,4|C<3>}	128.3720	0.000	1	128.3720	0.000	1	128.3720	0.000	1	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[6,6a]-3:C[6]-3:N-2:	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a])	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	125.9580	0.000	1	125.9580	0.000	1	125.9580	0.000	1	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6])	C[6](C[6]C[6]H)2(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)2(NC[6a]){1|C<3>,2|C<4>}	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6])	C[6](C[6]C[6]H)2(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]){1|C<3>,2|C<4>}	119.9810	0.000	1	119.9810	0.000	1	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6])	C[6](C[6]C[6]H)2(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NC[6a]){1|C<3>,2|H<1>}	121.5960	0.000	1	121.5960	0.000	1	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	122.8750	0.673	2	125.4967	20.846	3	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	130.7400	0.000	1	125.4967	20.846	3	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]Cl)2(NC[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]Cl)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	121.4685	0.988	2	121.4685	0.976	2	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6])	C[6](C[6]C[6]H)2(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]){1|C<3>,2|C<4>}	122.1300	0.000	1	122.1300	0.000	1	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a]){1|H<1>,2|C<4>}	121.4500	0.000	1	121.4500	0.000	1	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]){1|O<1>,2|C<3>}	129.3690	0.000	1	129.3690	0.000	1	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	123.9330	0.000	1	122.5835	3.642	2	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	121.2340	0.000	1	122.5835	3.642	2	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]){1|C<3>,2|C<4>}	121.7780	0.000	1	121.7780	0.000	1	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]N[6]Cl)2(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)2(NC[6a]){1|S<2>}	127.6390	0.000	1	127.6390	0.000	1	123.4669	11.140	14	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](N[6]C[6]C)2(NC[6a])	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]C)2(NC[6a]){1|N<3>,2|O<1>}	130.0170	0.003	2	130.0170	0.000	2	130.0170	0.000	2	124.7459	12.744	37	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:4:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6]-3:C[6]-4:N-2:	N(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	N(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	122.2794	2.159	9	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:4:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	122.2794	2.159	9	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:4:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5a,6]-3:C[6]-4:N-2:	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a])	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a]){5|C<3>}	125.0970	0.000	1	125.0970	0.000	1	125.0970	0.000	1	122.2794	2.159	9	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:4:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[6,6]-3:C[6]-4:N-2:	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){2|C<4>,6|H<1>}	122.9080	0.000	1	122.9080	0.000	1	121.9457	0.744	3	122.2794	2.159	9	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:4:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[6,6]-3:C[6]-4:N-2:	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a])	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	121.6860	0.000	1	121.6860	0.000	1	121.9457	0.744	3	122.2794	2.159	9	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:4:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[6,6]-3:C[6]-4:N-2:	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a])	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	121.2430	0.000	1	121.2430	0.000	1	121.9457	0.744	3	122.2794	2.159	9	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:4:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[6,6a]-3:C[6]-4:N-2:	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a])	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	122.2794	2.159	9	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	3:4:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6]-4:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NC[6a]){1|C<3>,1|C<4>,2|H<1>}	123.2730	0.649	2	123.2730	0.421	2	123.2730	0.421	2	122.2794	2.159	9	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	4:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:S[6]-2:N-2:	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a])	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a]){1|O<1>,1|O<2>,3|C<3>}	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-4:N[5,6]-3:N-2:	N(C[6]C[5,6]N[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a])	N(C[6]C[5,6]N[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a]){2|C<3>,4|C<4>,5|H<1>}	125.7750	0.000	1	125.7750	0.000	1	125.7750	0.000	1	122.3907	4.368	8	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6,6]-4:N[6]-3:N-2:	N(C[6]C[6,6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a])	N(C[6]C[6,6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	124.1250	0.000	1	124.1250	0.000	1	124.1250	0.000	1	122.3907	4.368	8	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:N[5a,6]-3:N-2:	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a])	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a]){1|O<1>,2|N<3>,6|C<3>}	124.0610	0.000	1	124.0610	0.000	1	124.0610	0.000	1	122.3907	4.368	8	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:N[6]-3:N-2:	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a])	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a]){2|C<3>,2|C<4>,2|H<1>}	122.5610	0.000	1	122.5610	0.000	1	122.0670	0.488	2	122.3907	4.368	8	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:N[6]-3:N-2:	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6])	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a])	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a]){1|O<1>,4|C<3>}	121.5730	0.000	1	121.5730	0.000	1	122.0670	0.488	2	122.3907	4.368	8	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6])	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]N)(NC[6a]){1|O<2>,7|C<3>}	120.2050	0.000	1	120.2050	0.000	1	120.3437	0.027	3	122.3907	4.368	8	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6])	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]N)(NC[6a]){6|C<3>}	120.5240	0.000	1	120.5240	0.000	1	120.3437	0.027	3	122.3907	4.368	8	123.3007	10.662	104	123.1605	10.221	115
941	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:C[6]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6])	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a]){1|N<3>,4|H<1>}	120.3020	0.000	1	120.3020	0.000	1	120.3437	0.027	3	122.3907	4.368	8	123.3007	10.662	104	123.1605	10.221	115
941	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:	3:3:2:	3:2:2:	C[4a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[4a]-3:S[4a]-2:N-2:	N(C[4a]N[4a]S[4a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[4a])	C[4a](N[4a]C[4a]C[6a])(S[4a]C[4a])(NC[6a])	N(C[4a]N[4a]S[4a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[4a]){1|C<3>,2|H<1>}	C[4a](N[4a]C[4a]C[6a])(S[4a]C[4a])(NC[6a]){3|C<3>}	122.4150	3.866	3	122.4150	14.946	3	122.4150	14.946	3	122.4150	14.946	3	122.4150	14.946	3	122.4150	14.946	3
941	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:	3:3:2:	3:2:3:	C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(BNN)	C[6a](C[6a]C[6a]C)2(NB)	B(NC[6a]Ge)(NC[6a])(NCC)	N(C[6a]C[6a]2)(BNN)	C[6a](C[6a]C[6a]C)2(NB){1|C<3>,2|H<1>}	B(NC[6a]Ge)(NC[6a])(NCC)	127.3840	0.000	1	127.3840	0.000	1	127.3840	0.000	1	127.3840	0.000	1	127.3840	0.000	1	127.3840	0.000	1
941	643	778	0:SP2_SP2_SPD5	N	C[6a]	C[3]	5:3:	3:3:2:	3:5:2:2:4:	C[3]-5:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[3]-5:H[3]-2:N-2:C-4:	N(C[3]C[6a]C[3]H[3]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3])	C[3](C[6a]C[6a]N[6a])(C[3]H[3]CHH)(H[3]C[3])(NC[6a])(CH3)	N(C[3]C[6a]C[3]H[3]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3]){1|C<3>,2|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]H[3]CHH)(H[3]C[3])(NC[6a])(CH3){1|H<1>,2|C<3>}	127.3760	0.000	1	127.3760	0.000	1	127.3760	0.000	1	127.3760	0.000	1	127.3760	0.000	1	127.3760	0.000	1
941	643	813	0:SP2_SP2_SP2	N	C[6a]	N[5a]	3:3:	3:3:2:	4:3:2:	N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	B[5a]-4:C[5a]-3:N-2:	N(N[5a]B[5a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN[5a])	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a])	N(N[5a]B[5a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN[5a]){1|C<3>,2|H<1>}	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	121.9767	3.003	3	121.9767	9.016	3	121.9767	9.016	3	121.9767	9.016	3	121.9767	9.016	3	121.9767	9.016	3
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5,5]	3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	P[4,5,5]-3:N[5,5]-3:N-2:	N(C[5,5]P[4,5,5]N[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5,5])	C[5,5](P[4,5,5]C[4,5]N[4,5])(N[5,5]P[4,5,5]C[6a])(NC[6a])	N(C[5,5]P[4,5,5]N[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5,5]){1|C<3>,2|H<1>}	C[5,5](P[4,5,5]C[4,5]N[4,5])(N[5,5]P[4,5,5]C[6a])(NC[6a]){1|N<2>,3|C<3>}	126.1470	0.000	1	126.1470	0.000	1	126.1470	0.000	1	126.1470	0.000	1	126.1470	0.000	1	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	2:3:2:	3:2:2:	C[5]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5]){1|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	123.2155	1.110	4	123.2155	1.232	4	123.2155	1.232	4	123.2155	1.232	4	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[5]-3:	N[6a]-2:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]N[6a])(C[5]N[5]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5])	C[5](N[5]C[5]C)2(NC[6a])	N(C[6a]C[6a]N[6a])(C[5]N[5]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	123.6810	0.891	2	123.6810	0.794	2	123.6810	0.794	2	123.6810	0.794	2	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:N-2:	N[5]-2:S[5]-2:N-2:	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	C[5](N[5]C[5,6a])(S[5]N[5,6a])(NC[6a])	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5,6a])(S[5]N[5,6a])(NC[6a]){2|C<3>}	112.5180	0.035	2	112.5180	0.001	2	112.5180	0.001	2	112.5180	0.001	2	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:N-2:	N[5]-3:S[5]-2:N-2:	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5])	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<4>,1|H<1>}	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ir)(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ir)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	118.2330	0.000	1	118.2330	0.000	1	119.7165	4.402	2	119.7165	4.402	2	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|N<2>,3|C<3>,3|H<1>}	121.2000	0.000	1	121.2000	0.000	1	119.7165	4.402	2	119.7165	4.402	2	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-2:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5])	C[5](N[5]N[5])(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]N[5])(S[5]C[5])(NC[6a]){2|C<4>}	120.0930	0.000	1	120.0930	0.000	1	118.7685	3.509	2	119.3260	1.203	6	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-2:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5])(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5])(S[5]C[5])(NC[6a]){1|H<1>,1|O<2>,2|C<4>}	117.4440	0.000	1	117.4440	0.000	1	118.7685	3.509	2	119.3260	1.203	6	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[5]-2:S[5]-2:N-2:	N(C[5]O[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5])	C[5](O[5]C[5])(S[5]C[5])(NC[6a])	N(C[5]O[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](O[5]C[5])(S[5]C[5])(NC[6a]){1|C<3>,1|C<4>}	120.2980	0.000	1	119.5415	1.145	2	119.7353	0.685	3	119.3260	1.203	6	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[5]-2:S[5]-2:N-2:	N(C[5]O[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5])	C[5](O[5]C[5])(S[5]C[5])(NC[6a])	N(C[5]O[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](O[5]C[5])(S[5]C[5])(NC[6a]){1|C<3>,2|H<1>}	118.7850	0.000	1	119.5415	1.145	2	119.7353	0.685	3	119.3260	1.203	6	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[5]-2:S[5]-2:N-2:	N(C[5]O[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](O[5]C[5,6])(S[5]C[5,6])(NC[6a])	N(C[5]O[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](O[5]C[5,6])(S[5]C[5,6])(NC[6a]){1|C<3>,1|C<4>}	120.1230	0.000	1	120.1230	0.000	1	119.7353	0.685	3	119.3260	1.203	6	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	Se[5]-2:O[5]-2:N-2:	N(C[5]Se[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](Se[5]C[5])(O[5]C[5])(NC[6a])	N(C[5]Se[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](Se[5]C[5])(O[5]C[5])(NC[6a]){1|C<3>,3|H<1>}	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	119.3260	1.203	6	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	2:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	S[5]-2:N[5]-3:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](S[5]C[5,6])(N[5]C[5]S)(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](S[5]C[5,6])(N[5]C[5]S)(NC[6a]){1|C<3>,1|C<4>,2|H<1>}	123.3180	0.000	1	123.3180	0.000	1	123.3180	0.000	1	123.3180	0.000	1	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	2:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	O[5]-2:P[5]-4:N-2:	N(C[5]O[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](O[5]B[5,5a])(P[5]O[5]CC)(NC[6a])	N(C[5]O[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](O[5]B[5,5a])(P[5]O[5]CC)(NC[6a]){2|O<2>}	124.7885	0.499	2	124.7885	0.249	2	124.7885	0.249	2	124.7885	0.249	2	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-3:O[5]-2:N-2:	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a])	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	122.0855	1.554	2	122.0855	2.413	2	122.0855	2.413	2	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	127.4715	1.180	2	127.4715	1.393	2	123.1038	16.938	5	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	119.0340	0.000	1	120.2105	2.768	2	123.1038	16.938	5	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	121.3870	0.000	1	120.2105	2.768	2	123.1038	16.938	5	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]){1|H<1>,2|C<3>,2|O<1>}	120.1550	0.000	1	120.1550	0.000	1	123.1038	16.938	5	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:O[5]-2:N-2:	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|C<4>,2|C<3>,2|H<1>}	120.3080	0.000	1	120.8880	0.673	2	120.8880	0.673	2	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:O[5]-2:N-2:	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|H<1>,2|C<3>,2|C<4>}	121.4680	0.000	1	120.8880	0.673	2	120.8880	0.673	2	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:S[5]-2:N-2:	N(C[5]C[5,6a]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(NC[6a])	N(C[5]C[5,6a]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(NC[6a]){1|C<3>,1|N<3>,1|O<1>}	126.1670	0.000	1	126.1670	0.000	1	126.1670	0.000	1	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:O[5]-2:N-2:	N(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a])	N(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]){4|H<1>}	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:S[5]-2:N-2:	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]C[5]C)(S[5]C[5])(NC[6a])	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<3>,1|O<1>}	131.4410	0.000	1	131.4410	0.000	1	123.7253	31.041	4	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:S[5]-2:N-2:	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]C[5]C)(S[5]S[5])(NC[6a])	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(S[5]S[5])(NC[6a]){1|N<3>}	119.6400	0.075	2	119.6400	0.006	2	123.7253	31.041	4	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:S[5]-2:N-2:	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NC[6a])	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]N[5]Cl)(S[5]S[5])(NC[6a])	124.1800	0.000	1	124.1800	0.000	1	123.7253	31.041	4	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:Se[5]-2:N-2:	N(C[5]Se[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]C[5]N)(Se[5]C[5])(NC[6a])	N(C[5]Se[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5]N)(Se[5]C[5])(NC[6a]){2|C<3>}	122.8920	0.000	1	122.8920	0.000	1	122.8920	0.000	1	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5,5a]-3:S[5]-2:N-2:	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<2>,3|C<3>}	119.9110	0.000	1	121.2095	3.372	2	121.2095	3.372	2	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5,5a]-3:S[5]-2:N-2:	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<3>,2|C<3>}	122.5080	0.000	1	121.2095	3.372	2	121.2095	3.372	2	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5,6]-3:O[5]-2:N-2:	N(C[5]N[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5,6]C[5,6]N[6])(O[5]C[5])(NC[6a])	N(C[5]N[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]N[6])(O[5]C[5])(NC[6a]){1|C<3>,1|C<4>,4|H<1>}	119.5860	0.000	1	119.5860	0.000	1	119.5860	0.000	1	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:O[5]-2:N-2:	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(NC[6a])	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(NC[6a]){1|C<4>,1|H<1>,3|C<3>}	119.0515	0.196	2	119.0515	0.038	2	120.3395	2.443	14	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:O[5]-2:N-2:	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5,5]C)(O[5]C[5,5])(NC[6a])	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5,5]C)(O[5]C[5,5])(NC[6a]){1|H<1>,2|C<3>}	122.0640	0.000	1	122.0640	0.000	1	120.3395	2.443	14	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:O[5]-2:N-2:	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a])	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a]){1|C<3>,1|C<4>,2|H<1>}	119.9940	0.000	1	121.4617	0.861	6	120.3395	2.443	14	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:O[5]-2:N-2:	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a])	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a]){1|C<3>,2|H<1>}	122.1090	0.397	2	121.4617	0.861	6	120.3395	2.443	14	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:O[5]-2:N-2:	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a])	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a]){1|C<4>,3|H<1>}	121.9050	0.501	2	121.4617	0.861	6	120.3395	2.443	14	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:O[5]-2:N-2:	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a])	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a]){4|H<1>}	120.7480	0.000	1	121.4617	0.861	6	120.3395	2.443	14	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:O[5]-2:N-2:	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[6a]C[5])(O[5]C[5,6])(NC[6a])	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(O[5]C[5,6])(NC[6a]){1|O<1>,2|C<3>,2|N<3>}	120.0950	0.000	1	120.0950	0.000	1	120.3395	2.443	14	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:O[5]-2:N-2:	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(NC[6a])	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(NC[6a]){1|C<4>,1|H<1>,3|C<3>}	118.9303	1.361	4	118.9303	1.853	4	120.3395	2.443	14	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:P[5]-2:N-2:	N(C[5]N[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](N[5]C[6a]P[5])(P[5]N[5])(NC[6a])	N(C[5]N[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]P[5])(P[5]N[5])(NC[6a]){3|C<3>}	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a]){1|O<1>,2|C<3>,2|H<1>}	117.3830	0.000	1	117.3830	0.000	1	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5])	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<4>,3|H<1>}	116.7385	0.148	2	116.7385	0.022	2	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	118.3510	0.000	1	118.3510	0.000	1	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[3]C[5])(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[3]C[5])(S[5]C[5])(NC[6a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	120.6060	0.000	1	120.6060	0.000	1	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5,6]S)(S[5]C[5,6])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5,6]S)(S[5]C[5,6])(NC[6a]){2|C<4>,2|H<1>}	119.0300	0.000	1	119.0300	0.000	1	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NC[6a]){2|C<3>}	119.3340	0.000	1	119.3340	0.000	1	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<3>,1|H<1>}	115.7570	0.000	1	118.2401	2.826	8	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<3>,3|H<1>}	117.8747	0.381	3	118.2401	2.826	8	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<4>,1|H<1>,1|O<1>}	118.3410	1.717	2	118.2401	2.826	8	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){2|H<1>}	119.9290	2.062	2	118.2401	2.826	8	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]S)(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]S)(S[5]C[5])(NC[6a]){1|C<3>,1|H<1>}	119.8865	1.510	2	121.2918	5.356	5	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]S)(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]S)(S[5]C[5])(NC[6a]){1|C<3>,3|H<1>}	123.7200	0.000	1	121.2918	5.356	5	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]S)(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]S)(S[5]C[5])(NC[6a]){1|C<4>,3|H<1>}	123.6310	0.000	1	121.2918	5.356	5	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]S)(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]S)(S[5]C[5])(NC[6a]){4|H<1>}	119.3350	0.000	1	121.2918	5.356	5	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(NC[6a]){1|O<1>,2|C<3>,2|C<4>}	118.2050	0.000	1	118.2050	0.000	1	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a]){1|H<1>,3|C<3>}	120.0180	0.000	1	118.9480	1.383	3	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a]){1|O<1>,2|C<3>,2|H<1>}	118.4130	1.024	2	118.9480	1.383	3	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[6a]N[5])(S[5]C[5])(NC[6a])	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(S[5]C[5])(NC[6a]){1|C<4>,3|C<3>}	122.0170	0.000	1	122.0170	0.000	1	119.1051	4.179	25	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:Se[5]-2:N-2:	N(C[5]Se[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a])	N(C[5]Se[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a]){1|C<3>,1|C<4>}	122.4260	0.000	1	120.5553	3.956	3	120.5553	3.956	3	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:Se[5]-2:N-2:	N(C[5]Se[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a])	N(C[5]Se[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a]){1|C<3>,1|H<1>}	119.6200	1.632	2	120.5553	3.956	3	120.5553	3.956	3	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-2:N-2:	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5])	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a])	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a]){4|H<1>}	121.3370	0.000	1	121.3370	0.000	1	121.3370	0.000	1	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[6a]C[6a,6a]2)(C[5]N[5]S[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[5])	C[5](N[5]C[5]N)(S[5]C[5])(NC[6a])	N(C[6a]C[6a,6a]2)(C[5]N[5]S[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[5]){1|N<2>,2|H<1>,4|C<3>}	C[5](N[5]C[5]N)(S[5]C[5])(NC[6a]){1|O<1>,2|H<1>}	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-2:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5])	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a]){4|H<1>}	118.8380	0.000	1	118.8380	0.000	1	117.1320	5.821	2	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-2:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5])	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]){1|C<3>}	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a]){4|H<1>}	115.4260	0.000	1	115.4260	0.000	1	117.1320	5.821	2	120.4595	7.861	66	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-3:C[5]-3:N-2:	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a])	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	118.9350	1.588	3	118.9350	2.523	3	118.9445	1.682	4	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-3:C[5]-3:N-2:	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a])	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a]){1|C<4>,1|I<1>,2|C<3>,2|O<2>}	118.9730	0.000	1	118.9730	0.000	1	118.9445	1.682	4	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	120.6160	0.000	2	120.6160	0.000	2	120.7626	0.593	13	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	120.4720	0.000	1	120.4720	0.000	1	120.7626	0.593	13	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	120.7520	0.000	1	120.7520	0.000	1	120.7626	0.593	13	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	119.7380	0.000	1	121.0194	0.619	8	120.7626	0.593	13	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|C<3>,2|H<1>,2|N<2>}	121.1132	0.655	4	121.0194	0.619	8	120.7626	0.593	13	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	121.3213	0.740	3	121.0194	0.619	8	120.7626	0.593	13	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a])	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a]){1|N<2>,4|C<3>}	119.3030	0.000	1	119.3030	0.000	1	120.7626	0.593	13	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[5]){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	120.7225	2.560	2	120.7225	6.556	2	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	121.3435	1.257	8	121.3435	1.579	8	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a]){1|H<1>,3|C<3>}	119.0673	1.098	3	119.0673	1.207	3	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	121.5143	2.216	4	121.5143	4.912	4	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	120.0135	4.504	2	120.0135	20.282	2	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	121.3900	0.819	4	121.6792	0.922	5	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|C<4>}	122.8360	0.000	1	121.6792	0.922	5	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NC[5]){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	121.6350	0.000	1	121.6350	0.000	1	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	123.0100	0.000	1	123.0100	0.000	1	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|H<1>,3|C<3>}	120.9990	0.000	1	120.9990	0.000	1	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|H<1>}	120.7780	0.000	1	120.9520	0.061	2	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	121.1260	0.000	1	120.9520	0.061	2	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	119.4560	0.000	1	119.4560	0.000	1	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	118.3980	0.000	1	118.3980	0.000	1	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	119.0685	0.402	2	119.0685	0.162	2	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|C<2>,1|H<1>,2|C<3>}	119.9100	0.000	1	119.9100	0.000	1	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	119.5095	0.590	2	119.5095	0.349	2	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	119.8340	0.576	2	119.8340	0.331	2	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]){1|H<1>,5|C<3>}	123.4210	0.000	1	123.4210	0.000	1	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]){1|C<4>,2|C<3>}	122.2790	0.000	1	122.2790	0.000	1	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	120.6069	1.888	7	120.3652	2.732	15	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|H<1>,3|C<3>}	119.9405	1.264	2	120.3652	2.732	15	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|C<4>}	121.3510	0.000	1	120.3652	2.732	15	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|H<1>}	119.9996	1.793	5	120.3652	2.732	15	120.6762	2.827	55	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC[6a]){2|C<3>,3|H<1>}	124.9390	0.000	1	124.9390	0.000	1	123.4777	6.312	6	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|H<1>,1|O<1>,4|C<3>}	120.8160	0.000	1	124.3070	24.374	2	123.4777	6.312	6	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|N<2>,1|O<1>,4|C<3>}	127.7980	0.000	1	124.3070	24.374	2	123.4777	6.312	6	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	122.3885	0.644	2	122.4377	0.215	3	123.4777	6.312	6	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	122.5360	0.000	1	122.4377	0.215	3	123.4777	6.312	6	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:C[5]-3:N-2:	N(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(NC[6a])	N(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(NC[6a]){1|O<1>,2|C<3>,2|C<4>}	122.8880	0.000	1	122.8880	0.000	1	122.8880	0.000	1	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5])	C[5](N[5]C[5]H)2(NC[6a])	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](N[5]C[5]H)2(NC[6a]){4|H<1>}	121.4375	2.529	2	121.4375	6.397	2	121.4375	6.397	2	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	119.8050	0.000	1	119.8050	0.000	1	121.2440	4.141	2	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a]){4|C<3>}	122.6830	0.000	1	122.6830	0.000	1	121.2440	4.141	2	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5])	C[5](N[5]C[5]C)2(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	125.1325	1.437	6	125.1325	2.066	6	125.1325	2.066	6	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:C[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a])	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6030	0.000	1	131.6030	0.000	1	131.6030	0.000	1	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Br)2(NC[5])	C[5](N[5]C[6a]C[5])2(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Br)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(NC[6a]){2|H<1>,4|C<3>}	124.0190	0.000	1	124.0190	0.000	1	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5])	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a]){4|H<1>}	119.8620	0.000	1	119.8620	0.000	1	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5])	C[5](N[5]C[5]C)2(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	124.5370	4.369	2	124.5370	19.084	2	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5])	C[5](N[5]C[5]H)2(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]H)2(NC[6a]){4|H<1>}	120.8840	1.969	2	120.8840	3.875	2	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	C[5](N[5]C[5]C)2(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(NC[6a]){2|C<4>}	120.0030	0.000	1	120.0030	0.000	1	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5])	C[5](N[5]C[5]C)2(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	122.2940	1.461	2	122.2940	2.134	2	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a]){1|C<4>,1|H<1>,1|O<1>}	120.1940	0.000	1	120.6650	0.444	2	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a]){1|O<1>,2|C<4>}	121.1360	0.000	1	120.6650	0.444	2	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[5]C)2(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<2>,1|C<3>,1|H<1>}	C[5](N[5]C[5]C)2(NC[6a]){2|O<1>}	124.3920	0.000	1	124.3920	0.000	1	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(NC[6a]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	124.7265	0.531	2	124.7265	0.282	2	122.4635	5.780	14	121.4316	5.653	104	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,5]-4:N-2:	N(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a])	N(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a]){1|Ga<3>,2|H<1>,5|C<3>}	121.3065	2.061	2	121.3065	4.249	2	121.3065	4.249	2	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6]-4:N-2:	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a])	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.5380	2.297	2	123.5380	5.275	2	123.5380	5.275	2	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-4:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	121.1050	0.000	1	121.1050	0.000	1	120.6625	0.814	12	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-4:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	122.9780	0.000	1	122.9780	0.000	1	120.6625	0.814	12	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-4:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]){1|H<1>,3|C<3>}	119.8040	0.000	1	119.8040	0.000	1	120.6625	0.814	12	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-4:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a]){2|H<1>,4|C<3>}	119.8950	0.000	1	119.8950	0.000	1	120.6625	0.814	12	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-4:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a]){1|C<4>,1|H<1>,4|C<3>}	120.6190	0.000	1	120.6190	0.000	1	120.6625	0.814	12	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-4:N-2:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	120.5070	0.562	7	120.5070	0.316	7	120.6625	0.814	12	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:C[5]-4:N-2:	N(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(NC[6a])	N(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(NC[6a]){1|N<3>,1|S<2>,3|C<3>}	124.4510	0.030	2	124.4510	0.001	2	124.4510	0.001	2	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:C[5]-4:N-2:	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a])	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]){1|O<1>,2|C<3>}	123.4290	0.000	1	124.8935	4.290	2	124.8935	4.290	2	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	3:4:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:C[5]-4:N-2:	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a])	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){2|Cl<1>,1|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]){1|O<1>,2|C<3>}	126.3580	0.000	1	124.8935	4.290	2	124.8935	4.290	2	121.8164	4.106	20	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,5]-4:S[5]-2:N-2:	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,5]C[5]3)(S[5]C[5])(NC[6a])	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,5]C[5]3)(S[5]C[5])(NC[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<2>}	120.8960	0.000	1	120.8960	0.000	1	121.1280	1.567	4	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,5]-4:S[5]-2:N-2:	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,5]C[5]N[5]2)(S[5]C[5])(NC[6a])	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,5]C[5]N[5]2)(S[5]C[5])(NC[6a]){1|C<4>,1|N<2>,4|C<3>}	120.0820	0.000	1	121.2053	2.315	3	121.1280	1.567	4	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,5]-4:S[5]-2:N-2:	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,5]C[5]N[5]2)(S[5]C[5])(NC[6a])	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,5]C[5]N[5]2)(S[5]C[5])(NC[6a]){1|H<1>,1|N<2>,5|C<3>}	122.9370	0.000	1	121.2053	2.315	3	121.1280	1.567	4	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,5]-4:S[5]-2:N-2:	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,5]C[5]N[5]2)(S[5]C[5])(NC[6a])	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,5]C[5]N[5]2)(S[5]C[5])(NC[6a]){1|H<1>,3|C<3>,3|C<4>}	120.5970	0.000	1	121.2053	2.315	3	121.1280	1.567	4	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-4:O[5]-2:N-2:	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a])	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a]){2|C<3>,2|C<4>,4|H<1>}	120.9755	1.602	2	120.9755	2.565	2	123.4670	9.214	4	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-4:O[5]-2:N-2:	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a])	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a]){2|C<4>,2|H<1>,3|C<3>}	125.9585	0.497	2	125.9585	0.247	2	123.4670	9.214	4	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-4:S[5]-2:N-2:	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[5](C[5,6]C[6]2N[5])(S[5]N[5])(NC[6a])	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[6]2N[5])(S[5]N[5])(NC[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.1160	0.000	1	121.1160	0.000	1	121.9230	1.460	4	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-4:S[5]-2:N-2:	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(NC[6a])	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(NC[6a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	122.9130	0.626	2	122.9130	0.392	2	121.9230	1.460	4	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-4:S[5]-2:N-2:	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5,6]C[6]2N[5])(S[5]N[5])(NC[6a])	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[6]2N[5])(S[5]N[5])(NC[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.7500	0.000	1	120.7500	0.000	1	121.9230	1.460	4	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:S[5]-2:N-2:	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]C[5]CC)(S[5]C[5])(NC[6a])	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(S[5]C[5])(NC[6a]){2|C<3>,2|H<1>}	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	122.0789	4.118	13	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[3,5]-4:N[5]-3:N-2:	N(C[5]C[3,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(NC[6a])	N(C[5]C[3,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(NC[6a]){2|C<3>,5|H<1>}	122.1620	0.000	1	122.1620	0.000	1	122.1620	0.000	1	121.8580	3.351	5	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-4:C[5]-3:N-2:	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a])	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a]){1|H<1>,4|C<3>}	121.8990	0.000	1	121.8990	0.000	1	121.8990	0.000	1	121.8580	3.351	5	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N[5]-3:N-2:	N(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a])	N(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a]){2|C<3>}	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	121.8580	3.351	5	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a])	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]){4|H<1>}	124.6000	0.000	1	124.6000	0.000	1	122.8155	6.369	2	121.8580	3.351	5	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[5]-3:N-2:	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5])	C[5](C[5]N[5]HH)(C[5]P[5]P)(NC[6a])	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]P[5]P)(NC[6a]){1|C<4>,2|C<3>}	121.0310	0.000	1	121.0310	0.000	1	122.8155	6.369	2	121.8580	3.351	5	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:4:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	Si[5,5]-4:C[5,6]-4:N-2:	N(C[5]Si[5,5]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](Si[5,5]Si[5]C[5]2)(C[5,6]C[5]C[6]2)(NC[6a])	N(C[5]Si[5,5]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](Si[5,5]Si[5]C[5]2)(C[5,6]C[5]C[6]2)(NC[6a]){3|C<3>,6|C<4>,7|H<1>}	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	121.1027	1.554	3	121.1675	6.734	231	121.1890	6.811	232
941	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:	3:3:2:	4:4:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[5]-4:N-2:	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(NC[5])	C[5](C[5]C[5]HH)(C[5]C[5]HP)(NC[6a])	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(NC[6a]){4|H<1>}	120.4250	0.594	2	120.4250	0.353	2	120.4250	0.353	2	121.1027	1.554	3	121.1675	6.734	231	121.1890	6.811	232
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-2:	O[4]-2:O[4]-2:N-2:	N(C[6a]C[6a]2)(C[4]O[4]2)	C[6a](C[6a]C[6a]C)2(NC[4])	C[4](O[4]Si[4,5])2(NC[6a])	N(C[6a]C[6a]2)(C[4]O[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[4](O[4]Si[4,5])2(NC[6a]){2|C<4>}	121.5030	0.000	1	121.5030	0.000	1	121.5030	0.000	1	121.0515	0.408	2	124.2171	17.778	21	124.2171	17.778	21
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-2:	S[4]-2:S[4]-2:N-2:	N(C[6a]C[6a]2)(C[4]S[4]2)	C[6a](C[6a]C[6a]C)2(NC[4])	C[4](S[4]Si[4,5])2(NC[6a])	N(C[6a]C[6a]2)(C[4]S[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[4](S[4]Si[4,5])2(NC[6a]){2|C<4>}	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	121.0515	0.408	2	124.2171	17.778	21	124.2171	17.778	21
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	3:3:2:	C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[4]-3:B[4]-3:N-2:	N(C[4]B[4]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4])	C[4](C[4]N[4]Cr)(B[4]N[4]N)(NC[6a])	N(C[4]B[4]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[4](C[4]N[4]Cr)(B[4]N[4]N)(NC[6a]){1|C<3>}	120.7150	0.552	6	120.7150	0.305	6	120.7150	0.305	6	124.4246	20.651	17	124.2171	17.778	21	124.2171	17.778	21
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	3:3:2:	C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[4]-3:C[4]-3:N-2:	N(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4])	C[4](N[4]C[6a]Si[4])(C[4]Si[4]Si)(NC[6a])	N(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[4](N[4]C[6a]Si[4])(C[4]Si[4]Si)(NC[6a]){2|Si<4>,2|C<3>}	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	124.4246	20.651	17	124.2171	17.778	21	124.2171	17.778	21
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-2:	C[4]-3:C[4]-3:N-2:	N(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]C)2(NC[4])	C[4](C[4]C[6a]C[4])(C[4]C[4]N)(NC[6a])	N(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4])(C[4]C[4]N)(NC[6a]){3|C<3>}	118.1285	3.412	2	118.1285	11.640	2	126.3211	23.087	9	124.4246	20.651	17	124.2171	17.778	21	124.2171	17.778	21
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-2:	C[4]-3:C[4]-3:N-2:	N(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[4])	C[4](C[4]C[4]N)(C[4]C[4]S)(NC[6a])	N(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[4]){1|C<3>,2|H<1>}	C[4](C[4]C[4]N)(C[4]C[4]S)(NC[6a]){1|S<1>}	128.8125	0.175	4	128.8125	0.031	4	126.3211	23.087	9	124.4246	20.651	17	124.2171	17.778	21	124.2171	17.778	21
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-2:	C[4]-3:C[4]-3:N-2:	N(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[4])	C[4](C[4]C[4]O)2(NC[6a])	N(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[4]){1|C<3>,2|H<1>}	C[4](C[4]C[4]O)2(NC[6a]){1|O<1>}	128.4610	0.280	3	128.4610	0.078	3	126.3211	23.087	9	124.4246	20.651	17	124.2171	17.778	21	124.2171	17.778	21
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-2:	N[4]-3:N[4]-3:N-2:	N(C[6a]C[6a]2)(C[4]N[4]2)	C[6a](C[6a]C[6a]C)2(NC[4])	C[4](N[4]C[6a]P[4])2(NC[6a])	N(C[6a]C[6a]2)(C[4]N[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[4](N[4]C[6a]P[4])2(NC[6a]){1|Cl<1>,4|C<3>}	129.8300	0.000	1	129.8300	0.000	1	129.8300	0.000	1	124.4246	20.651	17	124.2171	17.778	21	124.2171	17.778	21
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	4:3:2:	C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-2:	Si[4]-4:Si[4]-3:N-2:	N(C[6a]C[6a]2)(C[4]Si[4]2)	C[6a](C[6a]C[6a]C)2(NC[4])	C[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(NC[6a])	N(C[6a]C[6a]2)(C[4]Si[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(NC[6a]){1|Si<4>}	125.5130	0.000	1	125.5130	0.000	1	125.5130	0.000	1	125.5130	0.000	1	124.2171	17.778	21	124.2171	17.778	21
941	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:	3:3:2:	5:3:2:	C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	Si[4,4,6,6]-5:N[4]-3:N-2:	N(C[4]Si[4,4,6,6]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4])	C[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]N[4]2)(N[4]C[4,6,6]C[6a])(NC[6a])	N(C[4]Si[4,4,6,6]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]N[4]2)(N[4]C[4,6,6]C[6a])(NC[6a]){1|Si<4>,2|C<4>,3|C<3>,4|B<6>}	125.7260	0.000	1	125.7260	0.000	1	125.7260	0.000	1	125.7260	0.000	1	124.2171	17.778	21	124.2171	17.778	21
941	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6,6]	4:3:	3:3:2:	4:4:4:2:	P[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	P[6,6]-4:C[6]-4:C[6]-4:N-2:	N(P[6,6]P[6,6]C[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[6,6])	P[6,6](P[6,6]C[6]2N)(C[6]C[6]HH)2(NC[6a])	N(P[6,6]P[6,6]C[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[6,6]){1|C<3>,2|H<1>}	P[6,6](P[6,6]C[6]2N)(C[6]C[6]HH)2(NC[6a]){2|C<3>,2|C<4>,4|H<1>}	138.5780	3.544	3	138.5780	12.562	3	138.5780	12.562	3	138.5780	12.562	3	138.5780	12.562	3	135.9780	35.414	4
941	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:	3:3:2:	2:2:3:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:N-2:	N[6]-2:N[6]-2:N-3:N-2:	N(C[6a]C[6a]2)(P[6]N[6]2N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6])	P[6](N[6]P[6])2(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(P[6]N[6]2N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(NC[6a]H)(NC[6a]){4|Cl<1>,1|N<2>}	128.1780	0.000	1	128.1780	0.000	1	128.1780	0.000	1	128.1780	0.000	1	128.1780	0.000	1	135.9780	35.414	4
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NO){1|C<4>,2|H<1>,3|C<3>}	O(NC[6a])	115.5200	0.136	2	115.5200	0.018	2	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NO){2|H<1>,3|C<3>}	O(NC[6a])	114.6900	0.000	1	114.6900	0.000	1	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NO){1|C<3>,2|H<1>}	O(NC[6a])	116.9351	4.678	7	116.9351	21.883	7	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a])	118.1370	0.000	1	117.5477	0.603	44	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	O(NC[6a])	117.4868	0.781	20	117.5477	0.603	44	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	O(NC[6a])	118.2133	1.505	4	117.5477	0.603	44	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	O(NC[6a])	117.4406	0.533	19	117.5477	0.603	44	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)2(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)2(NO){1|C<3>}	O(NC[6a])	118.7365	0.911	2	118.7365	0.831	2	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO){1|C<3>,2|C<4>}	O(NC[6a])	117.6920	0.000	1	117.6920	0.000	1	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N[6])2(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N[6])2(NO){1|C<3>,4|C<4>}	O(NC[6a])	118.5810	0.000	1	118.5810	0.000	1	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:	3:3:2:	2:	C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]O)2(NO)	O(NC[6a])	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]O)2(NO){1|C<3>}	O(NC[6a])	118.1897	0.475	6	118.1897	0.226	6	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64	117.4884	2.927	64
941	643	872	0:SP2_SP2_SP3	N	C[6a]	Si[3]	4:3:	3:3:2:	4:3:3:2:	Si[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[3]-4:N[3]-3:C[5]-3:N-2:	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[3])	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a])	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[3]){1|C<3>,2|H<1>}	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a]){2|C<4>,6|C<3>}	138.1110	0.000	1	138.1110	0.000	1	138.1110	0.000	1	138.1110	0.000	1	138.1110	0.000	1	138.1110	0.000	1
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	2:4:4:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:O-2:	N(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(NSi)	Si(NC[6a])(CH3)2(OSi)	N(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	Si(NC[6a])(CH3)2(OSi)	127.6040	0.000	1	127.6040	0.000	1	127.6040	0.000	1	127.6040	0.000	1	141.8735	265.146	17	141.8735	265.146	17
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSi)	Si(NC[6a])(CH3)3	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSi){1|C<3>,2|H<1>}	Si(NC[6a])(CH3)3	131.2950	0.000	1	131.2950	0.000	1	128.9944	33.711	8	128.9944	33.711	8	141.8735	265.146	17	141.8735	265.146	17
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi)	Si(NC[6a])(CH3)3	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	Si(NC[6a])(CH3)3	133.3837	5.253	3	133.3837	27.594	3	128.9944	33.711	8	128.9944	33.711	8	141.8735	265.146	17	141.8735	265.146	17
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(NSi)	Si(NC[6a])(CSi2H)(CH3)2	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(NSi){1|C<3>,2|C<4>}	Si(NC[6a])(CSi2H)(CH3)2	130.1260	0.000	1	125.1273	19.293	4	128.9944	33.711	8	128.9944	33.711	8	141.8735	265.146	17	141.8735	265.146	17
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(NSi)	Si(NC[6a])(CSi2H)(CH3)2	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(NSi){1|C<3>,2|H<1>}	Si(NC[6a])(CSi2H)(CH3)2	123.4610	3.504	3	125.1273	19.293	4	128.9944	33.711	8	128.9944	33.711	8	141.8735	265.146	17	141.8735	265.146	17
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	3:2:2:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:N-2:Cl-1:	N(C[6a]C[6a]2)(SiC[5]ClN)	C[6a](C[6a]C[6a]C)2(NSi)	Si(C[5]N[5]2)(NC[6a])(NC)(Cl)	N(C[6a]C[6a]2)(SiC[5]ClN)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	Si(C[5]N[5]2)(NC[6a])(NC)(Cl)	172.3080	0.000	1	172.3080	0.000	1	172.3080	0.000	1	172.3080	0.000	1	141.8735	265.146	17	141.8735	265.146	17
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	3:2:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:O-2:O-2:	N(C[6a]C[6a]2)(SiC[5]OO)	C[6a](C[6a]C[6a]C)2(NSi)	Si(C[5]N[5]2)(NC[6a])(OSi)(OP)	N(C[6a]C[6a]2)(SiC[5]OO)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	Si(C[5]N[5]2)(NC[6a])(OSi)(OP)	148.1410	0.000	1	148.1410	0.000	1	148.1410	0.000	1	148.1410	0.000	1	141.8735	265.146	17	141.8735	265.146	17
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	3:2:3:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:C-3:Cl-1:	N(C[6a]C[6a]2)(SiC[5]ClC)	C[6a](C[6a]C[6a]C)2(NSi)	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	N(C[6a]C[6a]2)(SiC[5]ClC)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	157.8473	13.485	3	157.8473	181.842	3	157.8473	181.842	3	157.8473	181.842	3	141.8735	265.146	17	141.8735	265.146	17
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:C-3:N-2:Cl-1:	N(C[6a]C[6a]2)(SiC[5]ClC)	C[6a](C[6a]C[6a]C)2(NSi)	Si(C[5]N[5]2)(CC[6a]C)(NC[6a])(Cl)	N(C[6a]C[6a]2)(SiC[5]ClC)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	Si(C[5]N[5]2)(CC[6a]C)(NC[6a])(Cl)	154.7915	0.692	2	154.7915	0.479	2	154.7915	0.479	2	154.7915	0.479	2	141.8735	265.146	17	141.8735	265.146	17
941	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:	3:3:2:	3:3:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:P-3:N-2:O-2:	N(C[6a]C[6a]2)(SiC[5]OP)	C[6a](C[6a]C[6a]C)2(NSi)	Si(C[5]N[5]2)(PC[6a]2)(NC[6a])(OSi)	N(C[6a]C[6a]2)(SiC[5]OP)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	Si(C[5]N[5]2)(PC[6a]2)(NC[6a])(OSi)	148.7160	0.000	1	148.7160	0.000	1	148.7160	0.000	1	148.7160	0.000	1	141.8735	265.146	17	141.8735	265.146	17
941	643	887	0:SP2_SP2_SP3	N	C[6a]	S	3:3:	2:3:2:	2:1:1:	C[6a]-3:S-3:	N[6a]-2:C[6a]-3:N-2:	N-2:Cl-1:Cl-1:	N(C[6a]C[6a]N[6a])(SCl2)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS)	S(NC[6a])(Cl)2	N(C[6a]C[6a]N[6a])(SCl2)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS){1|C<3>,1|N<2>}	S(NC[6a])(Cl)2	127.7200	0.000	1	127.7200	0.000	1	127.7200	0.000	1	127.7200	0.000	1	127.7200	0.000	1	127.7200	0.000	1
941	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:2:	3:2:2:	2:1:	C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:N-2:	N-2:H-1:	N(C[6a]C[6a,6a]N[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO)	O(NC[6a])(H)	N(C[6a]C[6a,6a]N[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO){1|H<1>,1|N<3>,3|C<3>}	O(NC[6a])(H)	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	115.0120	7.238	6	115.0120	7.238	6
941	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:2:	3:3:2:	2:1:	C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO)	O(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO){1|H<1>,1|N<2>,3|C<3>}	O(NC[6a])(H)	118.2660	0.482	2	118.2660	0.233	2	118.2660	0.233	2	115.6972	10.133	4	115.0120	7.238	6	115.0120	7.238	6
941	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:2:	3:3:2:	2:1:	C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	N-2:H-1:	N(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NO)	O(NC[6a])(H)	N(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NO){1|H<1>,2|C<3>}	O(NC[6a])(H)	111.7550	0.000	1	111.7550	0.000	1	113.1285	3.773	2	115.6972	10.133	4	115.0120	7.238	6	115.0120	7.238	6
941	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:2:	3:3:2:	2:1:	C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-2:	N-2:H-1:	N(C[6a]C[6a]2)(OH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	O(NC[6a])(H)	N(C[6a]C[6a]2)(OH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	O(NC[6a])(H)	114.5020	0.000	1	114.5020	0.000	1	113.1285	3.773	2	115.6972	10.133	4	115.0120	7.238	6	115.0120	7.238	6
941	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:2:	3:3:2:	2:4:	C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:N-2:	N-2:C-4:	N(C[6a]C[6a,6a]2)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(NO)	O(NC[6a])(CH3)	N(C[6a]C[6a,6a]2)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(NO){1|H<1>,6|C<3>}	O(NC[6a])(CH3)	113.3640	0.000	1	113.3640	0.000	1	113.3640	0.000	1	113.3640	0.000	1	115.0120	7.238	6	115.0120	7.238	6
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6,6,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6,6,6a]C[6a])(C)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC)	C(NC[6a])	N(C[6a]C[6,6,6a]C[6a])(C)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC){1|C<4>,2|H<1>,3|C<3>}	C(NC[6a])	178.5870	0.000	1	178.5870	0.000	1	178.5870	0.000	1	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a,6a]C[6a])(C)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(NC[6a])	178.7350	0.000	1	178.7350	0.000	1	178.7350	0.000	1	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]2)2(NC)	C(NC[6a])	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C(NC[6a])	177.9228	1.045	4	177.9228	1.093	4	178.3699	1.794	18	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]Br)2(NC)	C(NC[6a])	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	C(NC[6a])	179.6900	0.157	2	179.6900	0.025	2	178.3699	1.794	18	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])	177.6233	1.744	4	177.6233	3.040	4	178.3699	1.794	18	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]Cl)2(NC)	C(NC[6a])	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C(NC[6a])	178.6640	0.000	1	178.6640	0.000	1	178.3699	1.794	18	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a])	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])	177.9720	0.000	1	178.5115	0.582	2	178.3699	1.794	18	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a])	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a])	179.0510	0.000	1	178.5115	0.582	2	178.3699	1.794	18	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])	178.3520	1.653	4	178.3520	2.731	4	178.3699	1.794	18	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]I)2(NC)	C(NC[6a])	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]I)2(NC){1|C<3>,2|H<1>}	C(NC[6a])	179.9990	0.000	1	179.9990	0.000	1	178.3699	1.794	18	178.3990	1.614	20	178.3990	1.614	20	178.3990	1.614	20
941	643	901	0:SP2_SP1_SP2	N	C[6a]	N	3:1:	3:3:2:	2:	C[6a]-3:N-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(NC[6a])	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(NC[6a])	171.1620	0.663	2	171.1620	0.440	2	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17
941	643	901	0:SP2_SP1_SP2	N	C[6a]	N	3:1:	3:3:2:	2:	C[6a]-3:N-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(NC[6a])	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(NC[6a])	174.7930	0.000	1	174.7930	0.000	1	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17
941	643	901	0:SP2_SP1_SP2	N	C[6a]	N	3:1:	3:3:2:	2:	C[6a]-3:N-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<6>}	N(NC[6a])	178.1820	0.000	1	147.3404	1397.927	14	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17
941	643	901	0:SP2_SP1_SP2	N	C[6a]	N	3:1:	3:3:2:	2:	C[6a]-3:N-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])	153.6875	34.223	11	147.3404	1397.927	14	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17
941	643	901	0:SP2_SP1_SP2	N	C[6a]	N	3:1:	3:3:2:	2:	C[6a]-3:N-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|N<2>,2|H<1>}	N(NC[6a])	97.0100	0.276	2	147.3404	1397.927	14	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17	151.7578	1233.147	17
941	643	902	0:SP2_SP2_SP2	N	C[6a]	C[3]	3:3:	3:3:2:	4:4:2:	C[3]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	Si[3]-4:Si[3,5]-4:N-2:	N(C[3]Si[3,5]Si[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[3])	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	N(C[3]Si[3,5]Si[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[3]){1|C<3>,2|H<1>}	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	124.0858	1.346	4	124.0858	1.812	4	124.0858	1.812	4	124.0858	1.812	4	124.0858	1.812	4	124.0858	1.812	4
941	643	909	0:SP2_SP2_SP2	N	C[6a]	S	3:2:	3:3:2:	2:2:	C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[5,6a]C[6a])(SN)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(NS)	S(NC[6a])2	N(C[6a]C[5,6a]C[6a])(SN)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(NS){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	S(NC[6a])2	130.7875	0.308	2	130.7875	0.095	2	130.7875	0.095	2	128.5118	4.357	5	128.5118	4.357	5	128.5118	4.357	5
941	643	909	0:SP2_SP2_SP2	N	C[6a]	S	3:2:	3:3:2:	2:2:	C[6a]-3:S-2:	N[6a]-3:C[6a]-3:N-2:	N-2:S-2:	N(C[6a]C[6a]N[6a])(SS)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS)	S(NC[6a])(SN)	N(C[6a]C[6a]N[6a])(SS)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS){1|C<3>,1|F<1>,1|N<2>}	S(NC[6a])(SN)	126.9947	0.189	3	126.9947	0.036	3	126.9947	0.036	3	128.5118	4.357	5	128.5118	4.357	5	128.5118	4.357	5
941	643	917	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:N-2:	N[4]-3:N[4]-3:N-2:S-1:	N(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)2(NP[4])	P[4](N[4]P[4]C)2(NC[6a])(S)	N(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)2(NP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(NC[6a])(S){1|N<3>,1|S<1>}	125.9080	0.000	1	125.9080	0.000	1	126.5205	0.750	2	126.5205	0.750	2	126.5205	0.750	2	126.5205	0.750	2
941	643	917	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:N-2:	N[4]-3:N[4]-3:N-2:S-1:	N(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)2(NP[4])	P[4](N[4]Si[4]C)2(NC[6a])(S)	N(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)2(NP[4]){1|C<3>,2|H<1>}	P[4](N[4]Si[4]C)2(NC[6a])(S){2|C<4>}	127.1330	0.000	1	127.1330	0.000	1	126.5205	0.750	2	126.5205	0.750	2	126.5205	0.750	2	126.5205	0.750	2
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	2:2:2:	2:3:2:	C[6a]-3:C-3:	N[6a]-2:N[6a]-2:N-2:	N-2:N-3:N-2:	N(C[6a]N[6a]2)(CNN)	C[6a](N[6a]N[6a])2(NC)	C(NC[6a])(NHH)(NN)	N(C[6a]N[6a]2)(CNN)	C[6a](N[6a]N[6a])2(NC){1|C<3>}	C(NC[6a])(NHH)(NN)	123.6223	0.776	3	123.6223	0.602	3	123.6223	0.602	3	123.6223	0.602	3	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	2:3:2:	2:3:1:	C[6a]-3:C-3:	N[6a]-2:N[6a]-3:N-2:	N-2:N-3:H-1:	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	C(NC[6a])(NCC)(H)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	C(NC[6a])(NCC)(H)	116.5913	2.300	3	116.5913	5.288	3	116.9470	4.032	4	116.9470	4.032	4	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	2:3:2:	2:3:1:	C[6a]-3:C-3:	N[6a]-2:N[6a]-3:N-2:	N-2:N-3:H-1:	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC)	C(NC[6a])(NCC)(H)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC){1|C<3>,1|N<2>,1|O<1>}	C(NC[6a])(NCC)(H)	118.0140	0.000	1	118.0140	0.000	1	116.9470	4.032	4	116.9470	4.032	4	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	2:3:2:	2:3:3:	C[6a]-3:C-3:	N[6a]-2:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]N[6a])(CNN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(NCC)2	N(C[6a]C[6a]N[6a])(CNN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a])(NCC)2	119.8250	0.269	2	119.8250	0.072	2	119.8250	0.072	2	119.8250	0.072	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	2:3:2:	2:4:1:	C[6a]-3:C-3:	N[6a]-2:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a])(CH3)(O)	127.2225	0.256	4	127.2225	0.066	4	127.2225	0.066	4	127.2225	0.066	4	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-2:S-2:S-2:	N(C[6a]C[6a]N[6a])(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a])(SPd)2	N(C[6a]C[6a]N[6a])(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(NC[6a])(SPd)2	119.6000	0.000	1	119.6000	0.000	1	119.6000	0.000	1	119.6000	0.000	1	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-2:N-3:H-1:	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|Cl<1>,1|N<2>,1|S<2>}	C(NC[6a])(NCC)(H)	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	115.9280	0.033	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:3:1:	C[6a]-3:C-3:	N[6a]-3:N[6a]-2:N-2:	N-2:N-3:H-1:	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC)	C(NC[6a])(NCC)(H)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<2>,1|O<1>}	C(NC[6a])(NCC)(H)	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	115.9280	0.033	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-2:C-3:C-3:	N(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a])(CCP)(COO)	N(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|N<2>,1|O<2>,1|S<2>}	C(NC[6a])(CCP)(COO)	123.3770	0.000	1	122.8490	0.558	2	122.8490	0.558	2	122.8490	0.558	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-2:C-3:C-3:	N(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a])(CCP)(COO)	N(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|S<2>,2|C<3>}	C(NC[6a])(CCP)(COO)	122.3210	0.000	1	122.8490	0.558	2	122.8490	0.558	2	122.8490	0.558	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC)	C(NC[6a])(CC3)(O)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC){1|C<3>,2|N<3>,3|H<1>}	C(NC[6a])(CC3)(O)	126.9580	0.000	1	126.9580	0.000	1	128.3200	0.529	8	128.3200	0.529	8	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a])(CCHH)(O)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCHH)(O)	128.4390	0.727	2	128.4390	0.528	2	128.3200	0.529	8	128.3200	0.529	8	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a])(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(CH3)(O)	128.8285	0.716	2	128.5448	0.260	5	128.3200	0.529	8	128.3200	0.529	8	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a])(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(O)	128.3557	0.359	3	128.5448	0.260	5	128.3200	0.529	8	128.3200	0.529	8	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-2:C-4:N-3:	N(C[6a]C[6a]N[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a])(CC3)(NCH)	N(C[6a]C[6a]N[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(CC3)(NCH)	129.4425	1.329	2	129.4425	1.765	2	129.4425	1.765	2	129.4425	1.765	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[5]-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CC[5]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	C(C[5]C[5]S[5])(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[5]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(NC[6a])(H)	117.2820	0.000	1	117.2820	0.000	1	117.2820	0.000	1	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	118.4980	0.000	1	118.4980	0.000	1	118.4980	0.000	1	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6]-3:N-2:O-1:	N(C[6a]C[6a]N[6a])(CC[6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6]C[6]N[6])(NC[6a])(O)	N(C[6a]C[6a]N[6a])(CC[6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(O)	127.6958	1.257	4	127.6958	1.581	4	127.6958	1.581	4	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.4213	0.828	4	120.2890	3.359	22	120.2460	3.199	25	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	115.2860	0.676	2	120.2890	3.359	22	120.2460	3.199	25	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.2277	0.441	6	120.2890	3.359	22	120.2460	3.199	25	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.6736	1.062	10	120.2890	3.359	22	120.2460	3.199	25	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.0290	0.000	1	118.0290	0.000	1	120.2460	3.199	25	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.8810	0.697	2	120.8810	0.486	2	120.2460	3.199	25	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	126.9300	1.151	3	126.9300	1.325	3	127.4188	1.839	4	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(O)	128.8850	0.000	1	128.8850	0.000	1	127.4188	1.839	4	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NC[6a])(H)	114.0750	0.000	1	115.8748	1.487	4	115.8748	1.487	4	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	116.4747	0.266	3	115.8748	1.487	4	115.8748	1.487	4	121.1766	15.100	39	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:C-2:	N(C[6a]C[6a]N[6a])(CC[6a]C)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(CN)	N(C[6a]C[6a]N[6a])(CC[6a]C)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CN)	123.6710	0.000	1	123.6710	0.000	1	123.6710	0.000	1	122.2320	5.555	3	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:N-2:	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NC)	119.5120	0.000	1	119.5120	0.000	1	119.5120	0.000	1	122.2320	5.555	3	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:S-2:	N(C[6a]C[6a]N[6a])(CC[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(SC[6a])	N(C[6a]C[6a]N[6a])(CC[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(SC[6a])	123.5130	0.000	1	123.5130	0.000	1	123.5130	0.000	1	122.2320	5.555	3	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(NHH)	123.8360	0.000	1	123.8360	0.000	1	123.3598	0.277	4	123.3598	0.277	4	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	123.0340	0.000	1	123.0340	0.000	1	123.3598	0.277	4	123.3598	0.277	4	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(NC[6a])(NHH)	122.7910	0.000	1	122.7910	0.000	1	123.3598	0.277	4	123.3598	0.277	4	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|C<7>}	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	123.7780	0.000	1	123.7780	0.000	1	123.3598	0.277	4	123.3598	0.277	4	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C-4:N-2:O-1:	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	C(CC[6a]HH)(NC[6a])(O)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	C(CC[6a]HH)(NC[6a])(O)	127.9440	0.000	1	127.9440	0.000	1	127.9440	0.000	1	127.2895	0.857	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:2:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-2:	C[5]-4:N-2:O-1:	N(C[6a]C[6a]N[6a])(CC[5]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[5]C[5]2Fe)(NC[6a])(O)	N(C[6a]C[6a]N[6a])(CC[5]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(NC[6a])(O)	126.6350	0.000	1	126.6350	0.000	1	126.6350	0.000	1	127.2895	0.857	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:H-1:H-1:	N(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]2)2(NC)	C(NC[6a])(H)2	N(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C(NC[6a])(H)2	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N-2:	N-2:N-2:O-1:	N(C[6a]C[6,6a]C[6a])(CNO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C(NC[6a])2(O)	N(C[6a]C[6,6a]C[6a])(CNO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,2|C<4>}	C(NC[6a])2(O)	127.9305	0.319	2	127.9305	0.102	2	127.9305	0.102	2	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(NC[6])(O)	N(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(NC[6a])(NC[6])(O)	126.7340	0.000	1	126.7340	0.000	1	126.7340	0.000	1	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:N-2:S-1:	N(C[6a]C[6a,6a]C[6a])(CNS)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(NP)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(NC[6a])(NP)(S)	124.6470	0.000	1	124.6470	0.000	1	124.6470	0.000	1	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])2(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])2(H)	116.8170	3.446	2	116.8170	11.878	2	116.8170	11.878	2	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NC[6])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NC[6])(O)	128.7670	0.000	1	127.6280	2.595	2	127.2560	3.361	8	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NC[6])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|N<3>}	C(NC[6a])(NC[6])(O)	126.4890	0.000	1	127.6280	2.595	2	127.2560	3.361	8	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NH)(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|P<4>}	C(NC[6a])(NH)(O)	129.4220	0.000	1	126.7065	14.748	2	127.2560	3.361	8	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NH)(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C(NC[6a])(NH)(O)	123.9910	0.000	1	126.7065	14.748	2	127.2560	3.361	8	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])2(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])2(O)	127.3448	1.325	4	127.3448	1.757	4	127.2560	3.361	8	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:S-1:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])2(S)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])2(S)	123.8940	1.646	2	123.8940	2.710	2	126.7617	26.025	3	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:S-1:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NN)(S)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NN)(S)	132.4970	0.000	1	132.4970	0.000	1	126.7617	26.025	3	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:H-1:	N(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(OC)(H)	N(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(OC)(H)	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-1:	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(OC)(O)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(OC)(O)	128.3160	0.000	1	128.3160	0.000	1	125.1652	2.638	13	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-1:	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C(NC[6a])(OC)(O)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|N<3>,2|C<3>,2|H<1>}	C(NC[6a])(OC)(O)	124.0930	0.000	1	124.0930	0.000	1	125.1652	2.638	13	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-1:	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)2(NC)	C(NC[6a])(OC)(O)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(NC[6a])(OC)(O)	124.2970	0.000	1	124.2970	0.000	1	125.1652	2.638	13	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-1:	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C(NC[6a])(OC[6a])(O)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C(NC[6a])(OC[6a])(O)	125.7010	0.000	1	125.7010	0.000	1	125.1652	2.638	13	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-1:	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(OC)(O)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(OC)(O)	125.5942	1.071	6	125.5942	1.147	6	125.1652	2.638	13	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-1:	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(OC[5])(O)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(OC[5])(O)	125.3120	0.000	1	125.3120	0.000	1	125.1652	2.638	13	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-1:	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]O)2(NC)	C(NC[6a])(OC)(O)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]O)2(NC){1|C<3>,2|O<2>}	C(NC[6a])(OC)(O)	121.7700	0.000	1	121.7700	0.000	1	125.1652	2.638	13	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-1:	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NC)	C(NC[6a])(OC)(O)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(OC)(O)	124.0940	0.000	1	124.0940	0.000	1	125.1652	2.638	13	125.3489	11.692	31	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:S-2:N-2:	N(C[6a]C[6a,6a]C[6a])(CNS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(SCu)(NN)	N(C[6a]C[6a,6a]C[6a])(CNS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(NC[6a])(SCu)(NN)	132.3720	0.000	1	132.3720	0.000	1	132.3720	0.000	1	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-2:C-2:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C(NC[6a])(CC)2	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(NC[6a])(CC)2	123.3900	0.000	1	123.3900	0.000	1	123.3900	0.000	1	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NC)(NH)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NC)(NH)	119.8215	0.807	2	119.8215	0.651	2	119.8215	0.651	2	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:N-2:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(SCd)(NP)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(SCd)(NP)	131.9590	0.000	1	131.9590	0.000	1	130.3203	1.548	7	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:N-2:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(SNi)(NN)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SNi)(NN)	129.0780	0.313	2	129.0780	0.098	2	130.3203	1.548	7	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:N-2:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(SRe)(NN)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SRe)(NN)	129.2690	0.000	1	129.2690	0.000	1	130.3203	1.548	7	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:N-2:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(SRu)(NN)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SRu)(NN)	131.4280	0.000	1	131.4280	0.000	1	130.3203	1.548	7	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:N-2:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(SSn)(NN)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SSn)(NN)	130.7150	0.880	2	130.7150	0.774	2	130.3203	1.548	7	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:O-2:	N(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(SAu)(OC)	N(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SAu)(OC)	124.8100	0.000	1	124.8100	0.000	1	124.8100	0.000	1	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:S-2:	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(SC[6a])2	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(SC[6a])2	119.7710	0.000	1	119.7710	0.000	1	121.0694	2.700	5	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:S-2:	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(SNi)2	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SNi)2	121.5020	0.000	1	121.5020	0.000	1	121.0694	2.700	5	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:S-2:	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(SPt)2	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SPt)2	121.1985	2.920	2	121.1985	8.524	2	121.0694	2.700	5	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:S-2:	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(SW)2	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SW)2	121.6770	0.000	1	121.6770	0.000	1	121.0694	2.700	5	125.7532	24.818	17	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])2(NCC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])2(NCC)	124.4195	5.202	4	124.4195	27.066	4	124.0695	28.273	6	123.0911	20.812	9	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])2(NCH)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])2(NCH)	123.3695	7.662	2	123.3695	58.699	2	124.0695	28.273	6	123.0911	20.812	9	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:C-3:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(OC[6a])(CCH)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(OC[6a])(CCH)	119.9875	0.066	2	119.9875	0.004	2	119.9875	0.004	2	123.0911	20.812	9	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:N-3:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(SC[6a])(NCC)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SC[6a])(NCC)	123.4280	0.000	1	123.4280	0.000	1	123.4280	0.000	1	123.0911	20.812	9	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NC[6])(CC3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NC[6])(CC3)	122.2120	0.000	1	122.2120	0.000	1	122.2120	0.000	1	122.7137	1.242	3	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:P-2:C-4:	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(PC[6a])(CC3)	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(PC[6a])(CC3)	122.9645	1.452	2	122.9645	2.107	2	122.9645	2.107	2	122.7137	1.242	3	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a,6a]C[6a])(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(NC[6a])(CCH)(H)	119.4760	0.676	4	119.4760	0.457	4	119.4760	0.457	4	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(NC[6a])(CCH)(H)	118.8190	0.000	1	118.8190	0.000	1	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(NC[6a])(CCH)(H)	120.3280	0.000	1	120.3280	0.000	1	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]2)2(NC)	C(NC[6a])(CCoN)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C(NC[6a])(CCoN)(H)	118.0550	0.000	1	118.0550	0.000	1	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCH)(H)	119.2617	1.006	4	119.2617	1.012	4	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(CHN)(H)	119.5967	0.701	3	120.4162	5.165	5	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a])(CHN)(H)	124.3510	0.000	1	120.4162	5.165	5	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CHN)(H)	118.9400	0.000	1	120.4162	5.165	5	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CCC)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCC)(H)	120.2300	0.892	2	120.2300	0.796	2	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CCN)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCN)(H)	117.7220	0.000	1	117.7220	0.000	1	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CHN)(H)	120.2219	2.636	10	120.2219	6.948	10	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(NC)	C(NC[6a])(CCC)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(NC[6a])(CCC)(H)	122.0835	0.961	2	122.0835	0.923	2	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CCC)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCC)(H)	121.1540	0.091	2	121.1540	0.008	2	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCH)(H)	118.9080	0.331	2	118.9080	0.110	2	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCH)(H)	120.1350	0.618	2	120.1350	0.382	2	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CHN)(H)	124.5710	0.000	1	124.5710	0.000	1	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CBrC)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a])(CBrC)(H)	127.2570	0.000	1	127.2570	0.000	1	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCC)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCC)(H)	118.3210	0.851	3	118.3210	0.725	3	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a])(CCH)(H)	120.0273	0.416	3	120.9917	3.088	11	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCH)(H)	121.4314	2.096	7	120.9917	3.088	11	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C(NC[6a])(CCH)(H)	120.8070	0.000	1	120.9917	3.088	11	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCN)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C(NC[6a])(CCN)(H)	122.8030	0.000	1	122.8030	0.000	1	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a])(CHN)(H)	122.1460	0.000	1	122.1460	0.000	1	120.4694	4.854	51	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CCC)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCC)(O)	121.5540	0.000	1	121.5540	0.000	1	124.7583	9.751	9	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(NC[6a])(CCH)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a])(CCH)(O)	127.1720	0.000	1	127.1720	0.000	1	124.7583	9.751	9	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)2(NC)	C(NC[6a])(CCC)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(NC[6a])(CCC)(O)	121.7843	0.193	3	121.7843	0.037	3	124.7583	9.751	9	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCC)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a])(CCC)(O)	129.1410	0.000	1	129.1410	0.000	1	124.7583	9.751	9	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCP)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCP)(O)	128.5900	0.000	1	128.5900	0.000	1	124.7583	9.751	9	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CNO)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CNO)(O)	125.8930	0.000	1	125.8930	0.000	1	124.7583	9.751	9	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(COO)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(COO)(O)	125.1220	0.000	1	125.1220	0.000	1	124.7583	9.751	9	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:S-1:	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCC)(S)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCC)(S)	127.9980	0.143	2	127.9980	0.020	2	127.9980	0.020	2	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)(H)	117.3423	1.184	6	117.3423	1.401	6	117.4266	1.217	7	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)(H)	117.9320	0.000	1	117.9320	0.000	1	117.4266	1.217	7	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(NHH)(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|N<2>,2|H<1>}	C(NC[6a])(NHH)(O)	127.4690	0.000	1	127.4690	0.000	1	125.2060	16.778	4	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a])(NCC)(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)(O)	119.1320	0.000	1	119.1320	0.000	1	125.2060	16.778	4	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NCC)(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)(O)	126.3840	0.000	1	126.3840	0.000	1	125.2060	16.778	4	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NHH)(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|P<4>}	C(NC[6a])(NHH)(O)	127.8390	0.000	1	127.8390	0.000	1	125.2060	16.778	4	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:S-1:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)2(NC)	C(NC[6a])(NCH)(S)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)2(NC){2|Cl<1>,1|C<3>}	C(NC[6a])(NCH)(S)	123.2760	0.306	4	123.2760	0.094	4	125.2329	6.527	7	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:S-1:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(NCH)(S)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCH)(S)	129.0930	0.000	1	129.0930	0.000	1	125.2329	6.527	7	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:S-1:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a])(NHN)(S)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NHN)(S)	126.5860	0.000	1	126.5860	0.000	1	125.2329	6.527	7	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:S-1:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NHH)(S)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NHH)(S)	127.8470	0.000	1	127.8470	0.000	1	125.2329	6.527	7	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:Se-1:	N(C[6a]C[6a]2)(CSeN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NCH)(Se)	N(C[6a]C[6a]2)(CSeN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(NCH)(Se)	133.2260	0.000	1	133.2260	0.000	1	133.2260	0.000	1	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-3:N-2:	N-2:N-3:H-1:	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|N<3>,2|O<1>}	C(NC[6a])(NCC)(H)	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	121.5175	12.874	86	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:C-2:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCO)(CN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCO)(CN)	128.2900	0.000	1	128.2900	0.000	1	128.2900	0.000	1	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:N-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CCH)(NC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCH)(NC)	123.1030	0.000	1	123.1030	0.000	1	123.1030	0.000	1	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:O-2:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CCN)(ONi)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCN)(ONi)	119.2240	2.646	4	119.2240	7.002	4	121.3668	15.221	6	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:O-2:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCP)(OH)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCP)(OH)	125.6525	0.026	2	125.6525	0.001	2	121.3668	15.221	6	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:S-2:	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCC)(SC)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCC)(SC)	127.7290	0.000	1	127.7290	0.000	1	124.7270	18.024	2	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:S-2:	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CSiC)(SU)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CSiC)(SU)	121.7250	0.000	1	121.7250	0.000	1	124.7270	18.024	2	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NCC)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)(NC)	119.0110	0.000	1	119.0110	0.000	1	121.4438	18.323	12	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C(NC[6a])(NHH)(NC)	122.7890	0.000	1	120.8584	13.727	10	121.4438	18.323	12	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NHH)(NC)	120.4144	4.430	7	120.8584	13.727	10	121.4438	18.323	12	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|O<2>}	C(NC[6a])(NHH)(NC)	121.3940	0.000	1	120.8584	13.727	10	121.4438	18.323	12	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){2|Cl<1>,1|C<3>}	C(NC[6a])(NHH)(NC)	121.5000	0.000	1	120.8584	13.727	10	121.4438	18.323	12	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NNiH)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NNiH)(NC)	129.7300	0.000	1	129.7300	0.000	1	121.4438	18.323	12	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:O-2:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NCC)(OMg)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)(OMg)	118.6395	0.554	2	118.6395	0.307	2	118.6395	0.307	2	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:S-2:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NCC)(STi)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)(STi)	123.1500	0.000	1	123.1500	0.000	1	123.1500	0.000	1	121.8721	15.886	25	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCH)(CNO)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCH)(CNO)	122.0800	0.000	1	122.0800	0.000	1	123.5815	4.509	2	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCO)(CNO)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCO)(CNO)	125.0830	0.000	1	125.0830	0.000	1	123.5815	4.509	2	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCO)(NCS)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCO)(NCS)	122.9740	0.000	1	122.9740	0.000	1	122.5727	1.614	3	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CNN)(NCH)	122.3720	1.728	2	122.3720	2.987	2	122.5727	1.614	3	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(NCC)2	120.5605	1.002	2	121.0100	2.480	4	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C(NC[6a])(NCC)2	121.4595	2.372	2	121.0100	2.480	4	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a])(NCC)2	121.1945	1.779	6	121.1945	3.163	6	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCH)(NHH)	118.5490	0.000	1	118.5490	0.000	1	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NCH)(NCP)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCH)(NCP)	120.2460	0.000	1	120.2460	0.000	1	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NCH)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCH)2	120.7050	0.000	1	120.7050	0.000	1	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)2	120.5873	1.108	3	120.5873	1.228	3	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a])(NCH)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCH)2	123.0690	0.000	1	123.0690	0.000	1	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)2	120.7093	0.689	3	120.7093	0.475	3	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(NC[6a])(NCH)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCH)2	120.5910	3.779	2	120.5910	14.279	2	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NCC)(NCH)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)(NCH)	121.1595	3.061	2	121.1595	9.370	2	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCC)2	120.6605	1.368	2	120.6605	1.872	2	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|F<1>}	C(NC[6a])(NCH)(NHH)	117.0355	0.962	2	117.0355	0.926	2	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NCH)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NCH)2	120.3793	2.998	3	120.3793	8.991	3	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]N)2(NC)	C(NC[6a])(NHH)2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]N)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NHH)2	124.5370	0.000	1	124.5370	0.000	1	120.6948	4.057	32	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:S-3:S-3:	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(SMo2)2	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(SMo2)2	122.3140	0.000	1	122.3140	0.000	1	122.3140	0.000	1	121.0376	4.295	38	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:3:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NLiC)(CC3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NLiC)(CC3)	131.2950	0.000	1	131.2950	0.000	1	131.2950	0.000	1	131.2950	0.000	1	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(O)	N(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(NC[6a])(CH3)(O)	125.4620	0.000	1	125.4620	0.000	1	125.4620	0.000	1	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(CCCH)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(NC[6a])(CCCH)(O)	126.6480	1.030	2	126.6480	1.060	2	126.3703	0.761	3	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(CCHH)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(NC[6a])(CCHH)(O)	125.8150	0.000	1	125.8150	0.000	1	126.3703	0.761	3	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:Cl-1:	N(C[6a]C[6a]2)(CClC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC)	C(NC[6a])(CC3)(Cl)	N(C[6a]C[6a]2)(CClC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC){1|Ti<8>,1|C<3>,2|C<4>,2|H<1>}	C(NC[6a])(CC3)(Cl)	124.3830	0.000	1	124.3830	0.000	1	123.8580	0.551	2	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:Cl-1:	N(C[6a]C[6a]2)(CClC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C(NC[6a])(CC3)(Cl)	N(C[6a]C[6a]2)(CClC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|Ti<8>,1|C<3>,2|C<4>,2|H<1>}	C(NC[6a])(CC3)(Cl)	123.3330	0.000	1	123.3330	0.000	1	123.8580	0.551	2	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CC3)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CC3)(H)	117.7160	0.092	2	117.7160	0.008	2	117.7160	0.008	2	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C(NC[6a])(CBrHH)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(NC[6a])(CBrHH)(O)	128.5640	0.000	1	128.5640	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C(NC[6a])(CCHH)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(NC[6a])(CCHH)(O)	130.5640	0.000	1	130.5640	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C(NC[6a])(CF3)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CF3)(O)	126.8250	0.000	1	126.8250	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)2(NC)	C(NC[6a])(CH3)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(O)	121.1910	0.000	1	121.1910	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CC3)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CC3)(O)	129.3280	0.000	1	129.3280	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CCHH)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCHH)(O)	127.5960	0.000	1	127.5960	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(NC[6a])(CCCH)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCCH)(O)	123.5530	0.000	1	123.5530	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(NC[6a])(CCCN)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCCN)(O)	129.6800	0.000	1	129.6800	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CC3)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CC3)(O)	127.7810	0.000	1	127.7810	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCHH)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCHH)(O)	126.8750	0.000	1	126.8750	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(O)	129.3560	1.185	2	129.3560	1.404	2	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]I)2(NC)	C(NC[6a])(CH3)(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]I)2(NC){1|N<3>,2|C<3>}	C(NC[6a])(CH3)(O)	116.3020	0.000	1	116.3020	0.000	1	126.6901	16.674	13	125.4615	17.470	21	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CCFF)(NC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCFF)(NC)	119.1522	2.699	5	119.1522	7.283	5	119.0216	4.086	9	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]Cl)2(NC)	C(NC[6a])(CCFF)(NC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCFF)(NC)	118.9990	0.000	1	118.9990	0.000	1	119.0216	4.086	9	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]F)2(NC)	C(NC[6a])(CF3)(NC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(NC[6a])(CF3)(NC)	117.3530	0.000	1	117.3530	0.000	1	119.0216	4.086	9	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCFF)(NC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCFF)(NC)	119.5405	0.384	2	119.5405	0.147	2	119.0216	4.086	9	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-2:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C(NC[6a])(CCHH)(OC)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){1|H<1>,4|C<3>}	C(NC[6a])(CCHH)(OC)	119.9670	0.000	1	119.9670	0.000	1	122.9039	3.103	8	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-2:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(CCHH)(OC)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C(NC[6a])(CCHH)(OC)	121.5810	0.000	1	121.5810	0.000	1	122.9039	3.103	8	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-2:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(OC)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(OC)	122.6820	0.000	1	122.6820	0.000	1	122.9039	3.103	8	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-2:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CF3)(OC)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CF3)(OC)	124.5710	0.862	3	124.5710	0.743	3	122.9039	3.103	8	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-2:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(OTi)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(OTi)	123.4630	0.000	1	123.4630	0.000	1	122.9039	3.103	8	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-2:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CHHN)(OFe)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CHHN)(OFe)	121.8250	0.000	1	121.8250	0.000	1	122.9039	3.103	8	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:S-2:	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CCHH)(SC)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCHH)(SC)	119.6930	0.329	3	119.6930	0.108	3	119.6930	0.108	3	120.6752	6.414	20	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a,6a]C[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a,6a]C[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){2|H<1>,3|C<3>}	C(NC[6a])(CH3)(CCN)	121.0800	0.386	2	121.0800	0.149	2	122.5293	6.376	3	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a,6a]C[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(CCC)	N(C[6a]C[6a,6a]C[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(NC[6a])(CH3)(CCC)	125.4280	0.000	1	125.4280	0.000	1	122.5293	6.376	3	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(NC[6a])(CH3)(CCN)	120.6990	0.000	1	120.6990	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(NC[6a])(CH3)(CCN)	119.9340	0.000	1	119.9340	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(CH3)(CCN)	121.0760	0.000	1	121.0760	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCH)	123.5017	2.152	3	123.5017	4.631	3	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(CH3)(CCN)	122.9010	0.000	1	121.4843	1.034	11	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCN)	121.2192	0.919	9	121.4843	1.034	11	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a])(CH3)(CCN)	122.4530	0.000	1	121.4843	1.034	11	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CC3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CC3)(CCH)	123.8980	0.000	1	123.8980	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CF3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CF3)(CCH)	125.9260	0.000	1	125.9260	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CF3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CF3)(CCN)	126.9060	0.000	1	126.9060	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CH3)(CCC)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCC)	122.1211	1.974	8	122.1211	3.897	8	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a])(CH3)(CCH)	124.3430	0.000	2	121.6348	3.300	16	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCH)	121.2479	1.587	14	121.6348	3.300	16	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,1|H<1>,1|S<4>}	C(NC[6a])(CH3)(CCN)	120.9130	0.000	1	120.8632	0.729	12	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCN)	120.8586	0.895	11	120.8632	0.729	12	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CH3)(CCO)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCO)	120.9920	1.003	2	120.9920	1.005	2	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CH3)(CCP)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCP)	123.5920	0.000	1	123.5920	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CH3)(CCS)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCS)	123.9040	1.301	2	123.9040	1.693	2	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CH3)(CHP)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CHP)	123.1830	0.000	1	123.1830	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]F)2(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(NC[6a])(CH3)(CCN)	120.2270	0.000	1	120.2270	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CCHH)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCHH)(CCH)	120.1210	0.000	1	120.1210	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CH3)(CCC)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCC)	122.6868	1.089	8	122.6868	1.185	8	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCH)	122.6220	0.000	1	122.6187	0.008	3	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a])(CH3)(CCH)	122.6170	0.130	2	122.6187	0.008	3	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CH3)(CCO)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCO)	120.7620	0.000	1	120.7620	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a])(CCCH)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCCH)(CCH)	121.0510	0.000	1	121.0510	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a])(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCH)	121.8920	0.000	1	121.8920	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCCH)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCCH)(CCH)	120.5920	0.000	1	120.5920	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CF3)(CCC)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CF3)(CCC)	121.6300	0.000	1	121.6300	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CF3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CF3)(CCN)	121.6780	0.000	1	121.6780	0.000	1	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(CCC)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCC)	122.7249	1.088	7	122.7249	1.185	7	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C(NC[6a])(CH3)(CCH)	120.2860	1.093	6	122.2548	15.480	10	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCH)	125.2080	5.007	4	122.2548	15.480	10	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a])(CH3)(CCN)	119.5730	0.000	1	120.0896	0.420	5	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CCN)	120.0963	0.764	3	120.0896	0.420	5	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){3|C<3>}	C(NC[6a])(CH3)(CCN)	120.5860	0.000	1	120.0896	0.420	5	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(CHP)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(CHP)	123.6040	2.167	2	123.6040	4.694	2	121.9229	3.867	105	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]Br)2(NC)	C(NC[6a])(CSiHH)(NCC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CSiHH)(NCC)	125.5870	0.000	1	125.5870	0.000	1	124.2063	17.599	9	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CC3)(NCH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CC3)(NCH)	127.8893	4.280	3	127.8893	18.319	3	124.2063	17.599	9	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C(NC[6a])(CC3)(NHH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|N<3>,3|H<1>}	C(NC[6a])(CC3)(NHH)	119.7990	0.000	1	119.7990	0.000	1	124.2063	17.599	9	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CCHH)(NPtH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a])(CCHH)(NPtH)	122.5100	0.000	1	122.5100	0.000	1	124.2063	17.599	9	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(NCC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(NCC)	122.0440	0.000	1	122.0440	0.000	1	124.2063	17.599	9	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CH3)(NHH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CH3)(NHH)	118.5250	0.000	1	118.5250	0.000	1	124.2063	17.599	9	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CZrNN)(NCH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CZrNN)(NCH)	125.7240	0.000	1	125.7240	0.000	1	124.2063	17.599	9	122.1141	5.168	117	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(NC[6a])(CCHH)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C(NC[6a])(CCHH)(CH3)	122.7505	1.186	4	122.7505	1.407	4	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CC3)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CC3)(CH3)	122.5500	0.000	1	122.5500	0.000	1	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CCCH)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCCH)(CH3)	122.5192	2.059	6	122.5192	4.241	6	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CCHH)(CC3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCHH)(CC3)	126.3305	3.200	2	126.3305	10.238	2	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CCHH)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCHH)(CH3)	122.1710	1.844	4	122.1710	3.401	4	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CCHN)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCHN)(CH3)	122.1580	1.482	2	122.1580	2.197	2	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CHHP)(CC3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CHHP)(CC3)	123.8775	0.889	2	123.8775	0.790	2	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(CNiCH)(CC3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CNiCH)(CC3)	131.7250	0.000	1	131.7250	0.000	1	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CC3)(CF3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CC3)(CF3)	125.4340	0.000	1	125.4340	0.000	1	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CCCH)(CF3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCCH)(CF3)	128.7830	0.000	1	128.7830	0.000	1	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CCHH)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCHH)(CH3)	120.4860	0.726	5	120.4860	0.527	5	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	2:4:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a])(CCl2H)(CCHH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(NC[6a])(CCl2H)(CCHH)	121.0090	0.000	1	121.0090	0.000	1	123.0488	7.989	30	123.0488	7.989	30	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	119.3420	0.000	1	119.3420	0.000	1	120.1640	0.693	5	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.3010	1.298	2	120.3695	0.642	4	120.1640	0.693	5	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.4380	0.471	2	120.3695	0.642	4	120.1640	0.693	5	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6,6a]C[6a])(CNO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6,6a]C[6a])(CNO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,2|C<4>}	C(NC[6a]H)(NC[6a])(O)	126.0190	0.000	1	126.0190	0.000	1	126.0190	0.000	1	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|N<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	118.8400	0.000	1	118.4850	0.307	4	118.4850	0.307	4	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	118.3667	0.614	3	118.4850	0.307	4	118.4850	0.307	4	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(NC[6a])(O)	128.7750	0.000	1	128.7750	0.000	1	128.7750	0.000	1	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a])(H)	120.3503	3.547	3	120.3503	12.584	3	120.3503	12.584	3	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.2433	0.461	8	121.2433	0.212	8	119.9709	2.727	48	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NC){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.4290	0.000	1	118.4290	0.000	1	119.9709	2.727	48	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	117.4140	0.000	1	117.4140	0.000	1	119.9709	2.727	48	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	119.8770	0.218	2	119.8770	0.047	2	119.9709	2.727	48	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.7970	0.000	1	119.6466	1.576	34	119.9709	2.727	48	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.6118	1.258	33	119.6466	1.576	34	119.9709	2.727	48	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	118.2950	0.000	1	118.2950	0.000	1	119.9709	2.727	48	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	126.7800	0.000	1	126.7800	0.000	1	119.9709	2.727	48	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(O)	129.7870	0.496	2	129.7870	0.246	2	129.7870	0.246	2	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(NC[6a]H)(NC[6a])(O)	129.1720	0.000	1	129.1720	0.000	1	129.1720	0.000	1	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	B[5]-3:N-2:H-1:	N(C[6a]C[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]2)2(NC)	C(B[5]O[5]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C(B[5]O[5]2)(NC[6a])(H)	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC)	C(CC[6a]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a])(H)	117.4925	2.063	2	117.4925	4.254	2	118.5526	1.625	7	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(CC[5]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(CC[5]C)(NC[6a])(H)	118.6905	0.486	4	118.6905	0.237	4	118.5526	1.625	7	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6a]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a])(H)	120.1210	0.000	1	120.1210	0.000	1	118.5526	1.625	7	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5]C[5]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a])(H)	116.5440	0.000	1	116.5440	0.000	1	117.7255	2.792	2	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5]N[5]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5]N[5]2)(NC[6a])(H)	118.9070	0.000	1	118.9070	0.000	1	117.7255	2.792	2	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]C[5,6a]N[5])(NC[6a])(O)	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(NC[6a])(O)	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:S-1:	N(C[6a]C[6a]2)(CC[5]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]N[5]2)(NC[6a])(S)	N(C[6a]C[6a]2)(CC[5]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]N[5]2)(NC[6a])(S)	120.4543	1.009	4	120.4543	1.018	4	120.4543	1.018	4	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	118.6170	0.170	2	118.6170	0.029	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	115.4410	0.000	1	115.4410	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	117.6890	0.786	3	117.6890	0.617	3	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NC[6a])(H)	119.4650	0.000	1	119.4650	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	116.4290	0.000	1	117.3430	1.671	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	118.2570	0.000	1	117.3430	1.671	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]O[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)	117.0620	0.000	1	117.0620	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	119.9610	0.000	1	119.1405	1.346	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	118.3200	0.000	1	119.1405	1.346	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5a]C[5a,6a]C[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NC[6a])(H)	119.4240	0.000	1	119.4240	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5a]C[5a,6a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(NC[6a])(H)	118.3320	0.000	1	118.3320	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	118.5407	1.674	24	118.5407	2.803	24	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	124.7760	0.000	1	124.7760	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	119.9490	0.000	1	119.9490	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]F)2(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	118.6630	0.000	1	118.6630	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]F)2(NC)	C(C[5a]C[5a]O[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)	120.0780	4.052	3	120.0780	16.416	3	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	119.1405	1.448	4	119.0184	2.029	10	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	118.9370	1.541	6	119.0184	2.029	10	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[5a]C[5a]O[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)	120.7330	0.238	2	120.7330	0.056	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	118.0790	0.000	1	118.8100	1.069	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	119.5410	0.000	1	118.8100	1.069	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[5a]C[5a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a])(H)	120.5995	2.094	2	120.5995	4.384	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	119.7606	1.480	5	119.7606	2.192	5	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	119.9565	0.111	2	119.9565	0.012	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[5a]N[5a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]N[5a]2)(NC[6a])(H)	121.8193	0.904	3	121.8261	3.228	7	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[5a]N[5a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[5a]N[5a]2)(NC[6a])(H)	121.8312	2.431	4	121.8261	3.228	7	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	119.0160	0.000	1	119.0160	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	118.9350	0.000	1	118.9350	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	119.3330	0.919	2	119.3330	0.845	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]2)(NC[6a])(H)	117.4830	0.000	1	117.4830	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a,6a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(NC[6a])(H)	116.3700	0.000	1	116.3700	0.000	1	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a])(H)	117.9840	0.840	4	117.9840	0.706	4	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	117.8645	0.681	2	118.6144	1.535	26	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(H)	118.6769	1.263	24	118.6144	1.535	26	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]O[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)	118.4765	0.576	2	118.1088	0.559	5	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]O[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)	117.8637	0.853	3	118.1088	0.559	5	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	118.9200	0.000	1	119.5403	0.487	18	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	118.5340	0.000	1	119.5403	0.487	18	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	119.6079	0.678	15	119.5403	0.487	18	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(H)	120.1520	0.000	1	119.5403	0.487	18	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]N[5a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]N[5a]2)(NC[6a])(H)	120.0875	0.596	2	120.0875	0.355	2	119.0547	2.816	135	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(O)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(NC[6a])(O)	127.7510	0.000	1	127.7510	0.000	1	128.6754	2.212	5	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a,6]C[5a])(NC[6a])(O)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(NC[6a])(O)	126.4970	0.000	1	126.4970	0.000	1	128.6754	2.212	5	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[5a]C[5,5a]C[5a])(NC[6a])(O)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5,5a]C[5a])(NC[6a])(O)	129.7800	0.086	2	129.7800	0.007	2	128.6754	2.212	5	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a,6]C[5a])(NC[6a])(O)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(NC[6a])(O)	129.5690	0.000	1	129.5690	0.000	1	128.6754	2.212	5	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6,6a]2)(NC[6a])(H)	117.9010	0.000	1	117.9010	0.000	1	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	116.8922	2.329	4	116.8922	5.426	4	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6]N[6])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	118.2747	1.774	12	118.2747	3.145	12	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]N[5,6]C[6])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]N[5,6]C[6])(NC[6a])(H)	124.1170	0.414	2	124.1170	0.172	2	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	118.8445	0.697	2	117.8103	3.451	3	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	115.7420	0.000	1	117.8103	3.451	3	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	122.9308	1.915	4	122.9308	3.668	4	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(C[6]C[6]N[6])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	115.8995	0.306	2	115.8995	0.094	2	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	122.2093	1.523	9	122.2093	2.321	9	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C(C[6]C[6]N[6])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(NC[6a])(H)	124.8905	0.428	2	124.8905	0.183	2	119.9902	9.857	39	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6]C[6]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(O)	125.3775	0.029	2	125.3775	0.001	2	125.3775	0.001	2	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:Cl-1:	N(C[6a]C[6a]2)(CC[6a]Cl)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(Cl)	N(C[6a]C[6a]2)(CC[6a]Cl)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(Cl)	122.7670	0.000	1	122.7670	0.000	1	123.1820	0.967	3	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:Cl-1:	N(C[6a]C[6a]2)(CC[6a]Cl)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(Cl)	N(C[6a]C[6a]2)(CC[6a]Cl)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(Cl)	124.3050	0.000	1	124.3050	0.000	1	123.1820	0.967	3	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:Cl-1:	N(C[6a]C[6a]2)(CC[6a]Cl)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(Cl)	N(C[6a]C[6a]2)(CC[6a]Cl)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(Cl)	122.4740	0.000	1	122.4740	0.000	1	123.1820	0.967	3	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	122.1390	0.000	1	121.6998	0.491	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.8030	0.000	1	121.6998	0.491	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.7570	0.918	2	121.6998	0.491	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	122.0430	0.000	1	121.6998	0.491	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.6354	1.364	5	120.6354	1.861	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	121.5220	0.000	1	121.5220	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.1610	0.000	1	121.1610	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	122.1787	1.651	7	122.1787	2.724	7	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	125.4740	0.000	1	125.4740	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.4950	0.949	3	121.5853	0.625	8	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.6394	0.796	5	121.5853	0.625	8	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	119.2500	0.000	1	119.2500	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NC){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	121.6750	0.000	1	121.6750	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	124.8540	0.000	1	124.8540	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	122.3365	0.234	2	122.3365	0.055	2	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	122.6700	0.000	1	121.4387	1.158	3	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.8230	0.204	2	121.4387	1.158	3	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.6273	3.167	3	119.6273	10.030	3	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	124.0010	0.000	1	124.0010	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	123.9595	0.135	2	122.2218	3.508	8	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.6425	1.816	6	122.2218	3.508	8	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	121.5660	0.000	1	121.2141	3.598	7	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	121.1555	2.071	6	121.2141	3.598	7	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.8092	1.445	6	120.5264	3.636	83	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.2774	1.546	7	120.5264	3.636	83	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.9270	0.000	1	120.5264	3.636	83	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.5742	1.920	64	120.5264	3.636	83	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.3983	2.890	3	120.5264	3.636	83	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.5120	0.701	2	120.5264	3.636	83	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	118.1780	0.000	1	118.8457	0.388	3	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	119.1795	0.327	2	118.8457	0.388	3	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	119.6260	0.000	1	119.6260	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(NC[6a])(H)	117.8600	0.000	1	117.8600	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	121.0880	0.000	1	121.0880	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.4195	1.827	4	119.6262	3.533	63	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.5724	1.886	59	119.6262	3.533	63	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	119.6126	1.321	10	119.6126	1.745	10	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.6090	0.000	1	119.6090	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	122.7300	0.000	1	121.7497	2.106	18	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.1820	0.000	1	121.7497	2.106	18	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.8089	1.594	14	121.7497	2.106	18	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.1290	0.817	2	121.7497	2.106	18	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	125.3890	0.000	1	125.3890	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.1051	1.340	18	118.3966	1.940	30	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.8590	0.000	1	118.3966	1.940	30	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.5589	1.091	11	118.3966	1.940	30	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.6593	2.692	9	120.6795	7.300	13	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.4748	0.714	4	120.6795	7.300	13	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.1740	1.394	5	119.1740	1.943	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(NC[6a])(H)	119.7015	0.493	2	119.7015	0.243	2	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	118.8578	1.581	5	118.8578	2.498	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.4525	2.583	2	120.7377	3.911	93	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.5690	0.000	1	120.7377	3.911	93	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.5523	1.951	12	120.7377	3.911	93	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.4040	4.854	4	120.7377	3.911	93	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.6129	1.793	71	120.7377	3.911	93	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.7913	0.947	3	120.7377	3.911	93	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]2)(NC[6a])(H)	119.1800	0.921	2	119.1800	0.848	2	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	123.2088	2.758	5	123.2088	7.604	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.8425	0.634	2	121.1218	7.150	48	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	117.5760	0.000	1	121.1218	7.150	48	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.1520	2.786	42	121.1218	7.150	48	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.4000	1.321	3	121.1218	7.150	48	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	120.7435	1.175	2	121.6732	1.613	4	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	122.6030	0.049	2	121.6732	1.613	4	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.7422	1.558	5	118.7422	2.427	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	121.0072	1.111	5	121.0072	1.234	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.8982	1.828	19	120.8982	3.342	19	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.8937	0.398	3	121.0314	1.159	31	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.9390	1.088	28	121.0314	1.159	31	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.4690	2.431	2	121.4690	5.910	2	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	119.8407	0.841	3	119.8407	0.707	3	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6,6a]C[6a])(NC[6a])(H)	119.8470	0.000	1	119.8470	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(NC[6a])(H)	119.1102	0.831	4	119.1102	0.691	4	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	123.3360	0.000	1	122.0905	8.049	23	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	122.2780	0.000	1	122.0905	8.049	23	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	127.2640	0.000	1	122.0905	8.049	23	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	121.8994	2.952	16	122.0905	8.049	23	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	120.7307	2.408	3	122.0905	8.049	23	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){2|Cl<1>,1|C<3>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	122.6200	0.000	1	122.0905	8.049	23	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.5190	0.980	6	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.2582	1.793	5	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.7764	1.542	9	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.7714	1.401	5	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.3357	1.633	6	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.3058	1.054	13	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.8056	2.226	14	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.3550	2.054	6	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.3630	0.000	1	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.4183	0.769	3	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.6199	2.141	8	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.6099	1.847	384	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(NC[6a])(H)	118.9980	0.000	1	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.5453	2.288	7	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.4053	1.668	39	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.8210	0.000	1	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){2|Br<1>,1|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.1300	0.759	2	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.4555	1.436	2	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){3|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	120.9580	2.062	2	120.4824	3.503	514	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	118.6775	0.303	2	119.7178	1.449	26	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|F<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	120.0595	0.366	2	119.7178	1.449	26	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	119.7426	1.281	21	119.7178	1.449	26	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	120.5960	0.000	1	119.7178	1.449	26	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|Br<1>,1|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.9770	0.553	2	120.5925	0.834	4	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.2080	0.824	2	120.5925	0.834	4	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|Br<1>,1|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	123.5420	0.000	1	123.5420	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	121.7697	0.971	3	121.7697	0.943	3	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	118.4970	0.781	2	118.4970	0.609	2	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	119.9590	0.000	1	119.9590	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC){1|C<3>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	118.3840	0.000	1	118.3840	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(H)	125.8140	0.000	1	125.1136	2.862	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6a])(H)	124.0130	0.527	3	125.1136	2.862	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	C(C[6a]C[6a]2)(NC[6a])(H)	127.7150	0.000	1	125.1136	2.862	5	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	124.1330	0.000	1	124.1330	0.000	1	120.5524	4.070	1095	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(O)	125.0310	0.000	1	125.0310	0.000	1	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	127.6340	0.000	1	127.6340	0.000	1	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	122.2810	0.000	1	122.2810	0.000	1	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|C<3>,2|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	127.8860	0.000	1	127.8860	0.000	1	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	127.2675	1.887	2	127.2675	3.562	2	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	128.1225	1.873	2	126.4833	9.815	3	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(O)	123.2050	0.000	1	126.4833	9.815	3	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	130.3360	0.000	1	130.3360	0.000	1	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	126.6565	1.436	4	126.6565	2.061	4	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	124.5220	0.000	1	124.5220	0.000	1	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	128.0430	0.000	1	127.3390	3.369	10	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a])(O)	126.2117	2.062	3	127.3390	3.369	10	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(O)	127.7853	1.806	6	127.3390	3.369	10	126.8676	4.434	25	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC)	C(NB[6,6]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NB[6,6]C[6a])(NC[6a])(H)	120.2930	0.000	1	120.2930	0.000	1	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6]C)(NC[6a])(H)	120.7430	0.000	1	120.7430	0.000	1	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6]H)(NC[6a])(H)	118.9320	0.000	1	118.9320	0.000	1	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a])(H)	118.2640	0.000	1	118.2640	0.000	1	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]C[5])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]C[5])(NC[6a])(H)	116.0810	1.038	2	116.0810	1.078	2	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]O)(NC[6a])(H)	120.0810	3.636	2	120.0810	13.220	2	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]Cl)2(NC)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	117.3820	0.552	6	117.3820	0.304	6	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]F)2(NC)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	115.6795	0.211	2	115.6795	0.045	2	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6a])(H)	114.6950	0.000	1	116.9248	3.223	6	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	116.8290	1.217	3	116.9248	3.223	6	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	119.7620	0.000	1	116.9248	3.223	6	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){2|Cl<1>,1|C<3>}	C(NC[6a]H)(NC[6a])(H)	116.6050	0.000	1	116.9248	3.223	6	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]P[4])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]P[4])(NC[6a])(H)	116.6430	0.000	1	116.6430	0.000	1	117.5826	3.616	23	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]F)2(NC)	C(NC[6]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(NC[6]H)(NC[6a])(O)	120.7590	0.000	1	120.7590	0.000	1	125.7721	10.808	10	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C(NC[6]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C(NC[6]H)(NC[6a])(O)	123.8510	0.000	1	123.8510	0.000	1	125.7721	10.808	10	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NB[5a]C[6a])(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NB[5a]C[6a])(NC[6a])(O)	120.3670	0.000	1	120.3670	0.000	1	125.7721	10.808	10	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]C)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(O)	124.1260	0.000	1	124.1260	0.000	1	125.7721	10.808	10	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a]H)(NC[6a])(O)	129.2250	0.000	1	128.1030	0.786	6	125.7721	10.808	10	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]H)(NC[6a])(O)	127.5650	0.000	1	128.1030	0.786	6	125.7721	10.808	10	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(O)	128.0737	1.032	3	128.1030	0.786	6	125.7721	10.808	10	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C(NC[6a]H)(NC[6a])(O)	127.6070	0.000	1	128.1030	0.786	6	125.7721	10.808	10	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(S)	122.8650	0.000	1	122.8650	0.000	1	123.7765	1.662	2	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(S)	124.6880	0.000	1	124.6880	0.000	1	123.7765	1.662	2	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:O-1:	N(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C(N[5]C[5]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C(N[5]C[5]2)(NC[6a])(O)	127.5770	0.000	1	127.5770	0.000	1	127.5770	0.000	1	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N-2:H-1:	N(C[6a]C[6a]2)(CN[5a]H)	C[6a](C[6a]C[6a]H)2(NC)	C(N[5a]C[5a,6a]C[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CN[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6a])(H)	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N-2:O-1:	N(C[6a]C[6a]2)(CN[5a]O)	C[6a](C[6a]C[6a]H)2(NC)	C(N[5a]C[5a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(CN[5a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a]2)(NC[6a])(O)	124.5770	0.000	1	124.5770	0.000	1	124.5770	0.000	1	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(CN[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(N[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CN[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a])(H)	118.4373	1.470	3	118.4373	2.161	3	118.4373	2.161	3	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-2:S-1:	N(C[6a]C[6a]2)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NC)	C(N[6]C[6]2)(NC[6a])(S)	N(C[6a]C[6a]2)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a])(S)	128.0870	0.000	1	128.0870	0.000	1	128.0870	0.000	1	120.5358	5.923	1426	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	B[5a]-3:N-2:P-2:	N(C[6a]C[6a]2)(CB[5a]P)	C[6a](C[6a]C[6a]C)2(NC)	C(B[5a]N[5a]2)(NC[6a])(PC)	N(C[6a]C[6a]2)(CB[5a]P)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(B[5a]N[5a]2)(NC[6a])(PC)	122.0855	0.586	2	122.0855	0.344	2	122.0855	0.344	2	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:N-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6a]O)(NC[6a])(NO)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a])(NO)	125.0600	0.000	1	125.0600	0.000	1	125.0600	0.000	1	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:S-2:	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6a]C)(NC[6a])(SU)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a])(SU)	125.5540	0.000	1	125.5540	0.000	1	125.5540	0.000	1	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:N-2:	N(C[6a]C[6a]2)(CC[5]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5]N[5]2)(NC[6a])2	N(C[6a]C[6a]2)(CC[5]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5]N[5]2)(NC[6a])2	123.7525	8.940	2	123.7525	79.923	2	122.7290	28.198	4	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:N-2:	N(C[6a]C[6a]2)(CC[5]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]N[5]2)(NC[6a])2	N(C[6a]C[6a]2)(CC[5]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]N[5]2)(NC[6a])2	121.7055	0.694	2	121.7055	0.481	2	122.7290	28.198	4	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[5]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]N[5]2)(NC[6a])(SAu)	N(C[6a]C[6a]2)(CC[5]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]N[5]2)(NC[6a])(SAu)	124.6660	4.384	2	124.6660	19.220	2	124.6660	19.220	2	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6]C[6]N[6])(NC[6a])(SNi)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SNi)	121.1990	0.000	1	121.1990	0.000	1	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6]C[6]N[6])(NC[6a])(SPd)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SPd)	124.8540	0.000	1	124.8540	0.000	1	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6]N[6])(NC[6a])(SAu)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SAu)	119.2710	0.124	2	119.2710	0.015	2	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6]N[6])(NC[6a])(SFe)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SFe)	119.0278	2.028	5	119.0278	4.114	5	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[6]C[6]N[6])(NC[6a])(SPd)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SPd)	121.5940	0.000	1	121.5940	0.000	1	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(C[6]C[6]N[6])(NC[6a])(SRu)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SRu)	124.6680	0.000	1	124.6680	0.000	1	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]C[6]N[6])(NC[6a])(SPd)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SPd)	123.7335	3.106	2	121.7507	16.619	3	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]C[6]N[6])(NC[6a])(SPd)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SPd)	117.7850	0.000	1	121.7507	16.619	3	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]C[6]N[6])(NC[6a])(SPt)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SPt)	120.6822	1.919	12	120.6822	3.681	12	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]C[6]N[6])(NC[6a])(SRu)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SRu)	120.5574	2.465	8	120.5574	6.075	8	120.7028	5.707	34	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(CN)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CN)	123.4205	0.033	2	123.4205	0.001	2	122.6505	2.520	4	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C(C[6a]C[6a]2)(NC[6a])(CN)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CN)	120.2700	0.000	1	120.2700	0.000	1	122.6505	2.520	4	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CN)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CN)	123.4910	0.000	1	123.4910	0.000	1	122.6505	2.520	4	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NC)	119.2950	0.964	2	119.2950	0.930	2	121.8257	8.188	7	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(NN)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NN)	121.7695	0.016	2	121.7695	0.000	2	121.8257	8.188	7	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NC)	123.8445	5.093	2	123.8445	25.942	2	121.8257	8.188	7	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NS)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NS)	122.9620	0.000	1	122.9620	0.000	1	121.8257	8.188	7	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-2:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(ONb[4])	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6a])(ONb[4])	122.4520	0.000	2	122.4520	0.000	2	123.7292	14.304	8	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-2:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	122.0980	1.133	2	122.0980	1.283	2	123.7292	14.304	8	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-2:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(OH)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a])(OH)	126.1500	0.000	1	126.1500	0.000	1	123.7292	14.304	8	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-2:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(ON)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(ON)	132.1290	0.000	1	132.1290	0.000	1	123.7292	14.304	8	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-2:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(ORu)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(ORu)	122.0410	0.000	1	122.0410	0.000	1	123.7292	14.304	8	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-2:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(OC)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6a])(OC)	120.4140	0.000	1	120.4140	0.000	1	123.7292	14.304	8	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(SC[5a])	N(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(SC[5a])	120.7580	0.000	1	120.7580	0.000	1	123.7440	6.791	3	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:S-2:	N(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(SHg)	N(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(SHg)	125.2370	0.455	2	125.2370	0.207	2	123.7440	6.791	3	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-2:N-2:	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(ONb[3,3])(NC[6a])	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(ONb[3,3])(NC[6a])	122.2070	0.000	2	122.2070	0.000	2	122.2070	0.000	2	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6]H)(NC[6a])(CC)	119.5885	2.395	2	119.5885	5.736	2	120.5000	2.189	5	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CC)	121.0900	0.000	1	121.0900	0.000	1	120.5000	2.189	5	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]Li)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]Li)(NC[6a])(CC)	120.7630	0.000	1	120.7630	0.000	1	120.5000	2.189	5	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(CN)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CN)	121.4700	0.000	1	121.4700	0.000	1	120.5000	2.189	5	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6]2)(NC[6a])2	127.6400	2.197	4	127.6400	4.829	4	126.8985	8.812	6	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])2	125.4155	4.793	2	125.4155	22.977	2	126.8985	8.812	6	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-2:	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(NC[6a]2)(NC[6a])(OH)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]2)(NC[6a])(OH)	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:S-2:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]C)(NC[6a])(SC[6a])	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(SC[6a])	125.6790	0.000	1	125.6790	0.000	1	124.8815	1.272	2	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:S-2:	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]C)(NC[6a])(SNi)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(SNi)	124.0840	0.000	1	124.0840	0.000	1	124.8815	1.272	2	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:N-2:	N(C[6a]C[6a]2)(CN[5]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(N[5]C[5,6a]C[5])(NC[6a])2	N(C[6a]C[6a]2)(CN[5]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(NC[6a])2	126.9955	1.320	2	126.9955	1.743	2	126.9955	1.743	2	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:S-2:	N(C[6a]C[6a]2)(CN[5]S)	C[6a](C[6a]C[6a]H)2(NC)	C(N[5]C[5]N[5])(NC[6a])(SNi)	N(C[6a]C[6a]2)(CN[5]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(NC[6a])(SNi)	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-2:N-2:	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]C)2(NC)	C(N[6]C[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a])2	122.4338	3.365	4	122.4338	11.320	4	122.4338	11.320	4	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-3:N-2:N-2:	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC)	C(PC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(PC[6]2)(NC[6a])2	121.3575	4.560	2	121.3575	20.795	2	121.3575	20.795	2	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P[5]-3:N-2:O-2:	N(C[6a]C[6a]2)(CP[5]O)	C[6a](C[6a]C[6a]H)2(NC)	C(P[5]N[5]2)(NC[6a])(OP[5])	N(C[6a]C[6a]2)(CP[5]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(P[5]N[5]2)(NC[6a])(OP[5])	122.2240	0.000	1	122.2240	0.000	1	122.2240	0.000	1	122.2547	10.677	92	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NC)	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NC){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NHH)	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(CC[6a]N)(NC[6a])(CPdN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a])(CPdN)	124.3440	0.573	3	124.3440	0.329	3	123.9705	0.777	4	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:C-3:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6a]O)(NC[6a])(CCO)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a])(CCO)	122.8500	0.000	1	122.8500	0.000	1	123.9705	0.777	4	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a,6a]C[5a])(NC[6a])(CCN)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NC[6a])(CCN)	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[5a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a,6a]N[5a])(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[5a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(NC[6a])(NCH)	121.3080	0.008	2	121.3080	0.000	2	121.3080	0.000	2	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:S-3:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]C[6]N[6])(NC[6a])(SRu2)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SRu2)	124.1355	1.774	2	124.1355	3.148	2	124.1355	3.148	2	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCH)	126.3130	0.000	1	126.3130	0.000	1	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CCC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCC)	122.5340	0.000	1	122.5340	0.000	1	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCH)	121.2447	2.197	4	121.2447	4.827	4	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CCO)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCO)	124.6335	3.101	2	124.6335	9.614	2	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCC)	119.6201	1.505	7	119.6201	2.266	7	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(COO)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(COO)	120.2100	2.312	2	120.2100	5.346	2	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCH)	121.7185	1.808	2	121.7185	3.269	2	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CHN)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CHN)	121.5560	0.000	1	121.5560	0.000	1	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CNO)	122.1091	1.550	7	122.1091	2.404	7	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(COO)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(COO)	120.3300	0.028	2	120.3300	0.001	2	121.4231	4.935	29	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NHH)	117.5790	0.899	2	117.5790	0.809	2	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NCH)	122.8162	0.671	4	122.8162	0.451	4	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NFeC)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NFeC)	124.1310	2.936	2	124.1310	8.620	2	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NHH)	119.7887	1.659	4	119.7887	2.751	4	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NHP)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NHP)	117.3975	0.149	2	117.3975	0.022	2	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|N<3>,3|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NHH)	119.7090	0.000	1	119.7090	0.000	1	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]F)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(NC[6a])(NCH)	120.7960	0.000	1	120.7960	0.000	1	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NHH)	118.3540	0.629	2	118.3540	0.396	2	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NHH)	121.5470	0.000	1	121.5470	0.000	1	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NCH)	123.1560	0.000	1	123.1560	0.000	1	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NCC)	121.6980	0.593	2	121.6980	0.351	2	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NCH)	120.6400	0.718	2	120.6400	0.516	2	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(NHH)	117.7718	1.462	5	117.7718	2.136	5	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	121.6180	0.000	1	121.6180	0.000	1	120.1901	5.917	30	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:Se-3:	N(C[6a]C[6a]2)(CC[6a]Se)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(SeFe2)	N(C[6a]C[6a]2)(CC[6a]Se)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(SeFe2)	124.5994	2.163	7	124.5994	4.678	7	124.5994	4.678	7	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(NC[6a]H)(NC[6a])(CNO)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(NC[6a]H)(NC[6a])(CNO)	123.9467	0.455	3	123.9467	0.207	3	124.1773	0.351	4	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(CNO)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CNO)	124.8690	0.000	1	124.8690	0.000	1	124.1773	0.351	4	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]H)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(NCC)	120.5560	0.000	1	120.5560	0.000	1	119.9225	2.587	6	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]C)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(NCC)	121.7140	0.296	2	121.7140	0.087	2	119.9225	2.587	6	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(NCH)	118.7300	0.000	1	118.7300	0.000	1	119.9225	2.587	6	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(NHH)	118.4105	0.179	2	118.4105	0.032	2	119.9225	2.587	6	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:C-3:	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)2(NC)	C(N[5]C[5]2)(NC[6a])(CSiC)	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(NC[6a])(CSiC)	121.3520	0.000	1	121.3520	0.000	1	121.3520	0.000	1	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:N[6a]-3:N-2:	C[5a]-3:N-2:N-3:	N(C[6a]C[6a]N[6a])(CC[5a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[5a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|N<3>,2|O<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(NHH)	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	121.3919	6.684	88	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCCH)	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a])(CCCH)	122.6160	0.000	1	122.4610	0.048	2	122.4610	0.048	2	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCCH)	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6a])(CCCH)	122.3060	0.000	1	122.4610	0.048	2	122.4610	0.048	2	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(CC[6a]N)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a])(CCHH)	122.2250	0.000	1	122.2250	0.000	1	123.1060	3.468	5	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(CC[6a]N)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a])(CH3)	123.3560	0.000	1	123.3560	0.000	1	123.1060	3.468	5	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(CC[6a]O)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a])(CH3)	121.3160	0.000	1	121.3160	0.000	1	123.1060	3.468	5	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(CN[5]C)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CN[5]C)(NC[6a])(CH3)	122.4590	0.000	1	122.4590	0.000	1	123.1060	3.468	5	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[5]H)(NC[6a])(CClFF)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[5]H)(NC[6a])(CClFF)	126.1740	0.000	1	126.1740	0.000	1	123.1060	3.468	5	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5]C[5]P[5])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]P[5])(NC[6a])(CH3)	120.0070	0.516	3	120.0070	0.266	3	120.6500	1.180	5	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]C[5]2)(NC[6a])(CF3)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a])(CF3)	122.3510	0.000	1	122.3510	0.000	1	120.6500	1.180	5	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]C[5]P[5])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]P[5])(NC[6a])(CH3)	120.8780	0.000	1	120.8780	0.000	1	120.6500	1.180	5	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC)	C(C[5a]C[5a]O[5a])(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC){2|C<3>}	C(C[5a]C[5a]O[5a])(NC[6a])(CCHH)	121.0800	0.000	1	121.0800	0.000	1	119.9083	0.939	15	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	120.4200	0.000	1	119.7297	0.379	3	119.9083	0.939	15	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	119.3845	0.209	2	119.7297	0.379	3	119.9083	0.939	15	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	119.9923	0.972	6	119.9923	0.945	6	119.9083	0.939	15	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	119.0370	0.000	1	119.2722	0.852	4	119.9083	0.939	15	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a])(CH3)	119.3507	1.114	3	119.2722	0.852	4	119.9083	0.939	15	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]S[5a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a])(CH3)	121.3130	0.000	1	121.3130	0.000	1	119.9083	0.939	15	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6,6]N[6])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6,6]N[6])(NC[6a])(CH3)	123.4310	0.000	1	123.4310	0.000	1	120.6069	2.699	10	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6]N[6])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(CH3)	119.7769	1.074	7	119.7769	1.153	7	120.6069	2.699	10	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]C[6]N[6])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(CH3)	122.1000	0.345	2	122.1000	0.119	2	120.6069	2.699	10	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[6a])(CCHH)	120.6840	0.000	1	120.6840	0.000	1	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCCH)	123.4887	1.448	3	123.4887	2.097	3	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHN)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCHN)	122.2360	0.000	1	122.2360	0.000	1	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHS)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCHS)	119.9435	0.064	2	119.9435	0.004	2	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a])(CH3)	122.4100	0.000	1	122.4100	0.000	1	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	122.0090	0.006	2	122.0090	0.000	2	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	122.1778	0.592	4	122.1778	0.351	4	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CH3)	121.1950	0.000	1	121.1950	0.000	1	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCHH)	121.5450	0.622	3	121.5450	0.386	3	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CH3)	122.0490	0.000	1	122.0490	0.000	1	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	124.0120	3.108	3	124.0120	9.657	3	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CF3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CF3)	122.7940	0.000	1	122.7940	0.000	1	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	121.1671	0.984	35	121.1671	0.968	35	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]Cl)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	120.5387	0.134	3	120.5387	0.018	3	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	121.3645	0.834	2	121.3645	0.695	2	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCHH)	119.6840	0.000	1	120.8719	1.602	34	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6a])(CCHH)	121.5220	0.000	1	120.8719	1.602	34	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCHH)	120.8887	1.283	32	120.8719	1.602	34	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CH3)	124.6350	0.000	1	124.0875	0.600	2	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CH3)	123.5400	0.000	1	124.0875	0.600	2	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	119.3860	1.532	2	119.3860	2.346	2	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CH3)	124.5760	0.000	1	124.5760	0.000	1	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCHH)	121.1400	0.245	2	121.1400	0.060	2	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CCHH)	120.8817	0.881	3	120.8817	0.777	3	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CClCC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CClCC)	122.6160	1.464	2	122.6160	2.142	2	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a])(CH3)	122.5415	1.350	2	122.0075	3.994	17	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(CH3)	121.9363	2.095	15	122.0075	3.994	17	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	121.9457	0.850	9	121.9457	0.723	9	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]N[6a]N)2(NC)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]N[6a]N)2(NC){1|C<3>}	C(C[6a]C[6a]2)(NC[6a])(CCHH)	123.4970	0.000	1	123.4970	0.000	1	121.4910	2.194	136	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a]C)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(CH3)	121.2210	0.000	1	121.2210	0.000	1	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6]H)(NC[6a])(CC3)	129.2590	0.991	2	129.2590	0.983	2	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a])(CH3)	116.3550	0.000	1	116.3550	0.000	1	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CC3)	128.7177	2.288	7	128.7177	5.235	7	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]H)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CH3)	121.7260	0.000	1	121.7260	0.000	1	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]F)2(NC)	C(NC[6a]H)(NC[6a])(CCCH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(NC[6a]H)(NC[6a])(CCCH)	120.5620	0.000	1	120.5620	0.000	1	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a]2)(NC[6a])(CF3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a])(CF3)	124.3330	0.000	1	124.3330	0.000	1	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a]H)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CCHH)	120.4470	0.429	2	120.4470	0.184	2	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a]H)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CH3)	120.2720	0.096	2	120.2720	0.009	2	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CC3)	126.4430	0.000	1	126.4430	0.000	1	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(CCCH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CCCH)	119.8500	0.105	2	119.8500	0.011	2	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CH3)	119.6290	0.000	1	119.6290	0.000	1	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]Zn)(NC[6a])(CHPP)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]Zn)(NC[6a])(CHPP)	120.9810	0.000	1	120.9810	0.000	1	123.9970	20.393	23	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:P-4:	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a]H)(NC[6a])(PBCC)	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(PBCC)	126.2805	0.289	2	126.2805	0.084	2	126.2805	0.084	2	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[3]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[3]C)	C[6a](C[6a]C[6a]H)2(NC)	C(N[3]C[3]2)(NC[6a])(CF3)	N(C[6a]C[6a]2)(CN[3]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[3]C[3]2)(NC[6a])(CF3)	122.1780	0.537	2	122.1780	0.289	2	122.1780	0.289	2	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]C)2(NC)	C(N[5]C[5]2)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(NC[6a])(CC3)	123.8720	0.000	1	123.8720	0.000	1	121.3412	1.945	13	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]C)2(NC)	C(N[5]C[5]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(NC[6a])(CH3)	121.1302	1.221	12	121.1302	1.492	12	121.3412	1.945	13	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(N[5a]C[5a,6a]C[5a])(NC[6a])(CF3)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(NC[6a])(CF3)	126.6440	0.000	1	126.6440	0.000	1	122.7895	10.638	4	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(N[5a]C[5a]2)(NC[6a])(CHHO)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a]2)(NC[6a])(CHHO)	120.7410	0.000	1	120.7410	0.000	1	122.7895	10.638	4	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(N[5a]C[5a,6a]C[5a])(NC[6a])(CC3)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6a])(CC3)	124.2560	0.000	1	124.2560	0.000	1	122.7895	10.638	4	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(N[5a]C[5a,6a]N[5a])(NC[6a])(CH3)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(NC[6a])(CH3)	119.5170	0.000	1	119.5170	0.000	1	122.7895	10.638	4	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6,6]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[6,6]C)	C[6a](C[6a]C[6a]C)2(NC)	C(N[6,6]Ga[6,6]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CN[6,6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[6,6]Ga[6,6]2)(NC[6a])(CH3)	124.1900	0.000	1	124.1900	0.000	1	124.1900	0.000	1	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C(N[6]C[6]2)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a])(CCHH)	118.7590	0.000	1	118.7590	0.000	1	122.2500	24.374	2	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-2:C-4:	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]C)2(NC)	C(N[6]C[6]2)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a])(CC3)	125.7410	0.000	1	125.7410	0.000	1	122.2500	24.374	2	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-3:N-2:C-4:	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)2(NC)	C(PC[6a]C)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(PC[6a]C)(NC[6a])(CC3)	126.5700	0.000	1	126.5700	0.000	1	126.8270	0.132	2	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-3:N-2:C-4:	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]H)2(NC)	C(PC[6a]C)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(PC[6a]C)(NC[6a])(CC3)	127.0840	0.000	1	127.0840	0.000	1	126.8270	0.132	2	121.7472	5.414	223	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[4,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[4,6a]C[6a])(CC[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[4,6a]C[6a])(CC[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)2(NC[6a])	119.6355	0.340	2	119.6355	0.116	2	119.6355	0.116	2	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)2(NC[6a])	123.3940	0.625	2	123.3940	0.391	2	123.0225	6.942	4	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)2(NC[6a])	122.6510	4.459	2	122.6510	19.883	2	123.0225	6.942	4	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)2(NC[6a])	123.3900	0.177	2	122.8713	0.941	4	122.8713	0.941	4	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)2(NC[6a])	122.3525	1.310	2	122.8713	0.941	4	122.8713	0.941	4	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-3:N-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6a]O)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(NC[6a])	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]S[5a])(CC[5a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C(C[5a]C[5a]S[5a])(CC[5a]N)(NC[6a])	123.0000	0.345	2	122.0635	2.818	6	122.1419	2.392	7	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]S[5a])(CC[5a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[5a]N)(NC[6a])	121.5952	1.944	4	122.0635	2.818	6	122.1419	2.392	7	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]N[5a,6a]C[5a])(CC[6a]O)(NC[6a])	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(CC[6a]O)(NC[6a])	122.6120	0.000	1	122.6120	0.000	1	122.1419	2.392	7	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	N(C[6a]C[6a]2)(CC[5a]2)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]N[5a])2(NC[6a])	N(C[6a]C[6a]2)(CC[5a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])2(NC[6a])	121.0780	0.000	1	121.7105	0.800	2	121.7105	0.800	2	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	N(C[6a]C[6a]2)(CC[5a]2)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5a]C[5a]N[5a])2(NC[6a])	N(C[6a]C[6a]2)(CC[5a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|O<2>}	C(C[5a]C[5a]N[5a])2(NC[6a])	122.3430	0.000	1	121.7105	0.800	2	121.7105	0.800	2	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(CC[5a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[5a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	123.4743	0.985	54	123.4743	0.971	54	123.4743	0.971	54	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	121.5835	0.599	2	121.5835	0.359	2	121.8468	4.523	6	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	121.9785	2.711	4	121.9785	7.350	4	121.8468	4.523	6	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	123.2900	0.000	1	123.2900	0.000	1	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	121.7920	0.000	1	121.7920	0.000	1	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	124.2590	0.000	1	124.2590	0.000	1	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	123.4345	2.973	2	123.4345	8.841	2	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	122.7330	0.000	1	122.7330	0.000	1	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	119.4760	0.000	1	119.4760	0.000	1	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	122.0830	0.921	2	122.0830	0.848	2	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	121.1125	1.258	2	121.7807	1.357	4	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	122.4490	0.837	2	121.7807	1.357	4	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	121.7680	0.441	2	121.7680	0.195	2	122.2163	2.243	15	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[5]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]Cl)2(NC)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a])	120.6230	0.000	1	120.6230	0.000	1	120.6230	0.000	1	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	121.0940	0.000	1	121.0940	0.000	1	121.0940	0.000	1	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)2(NC[6a])	121.4890	0.000	1	121.4890	0.000	1	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)2(NC[6a])	121.5890	0.000	1	120.8934	0.803	12	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)2(NC[6a])	120.5390	0.000	1	120.8934	0.803	12	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(NC[6a])	120.8593	0.955	10	120.8934	0.803	12	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(NC[6a])	122.4100	0.441	2	122.4100	0.195	2	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a])	120.4495	0.350	2	120.4495	0.123	2	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(NC[6a])	123.1072	1.902	10	123.1072	3.616	10	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(NC[6a])	128.0700	0.000	1	128.0700	0.000	1	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	122.6750	0.000	1	122.6750	0.000	1	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])	120.1540	0.000	1	120.8620	1.003	2	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])	121.5700	0.000	1	120.8620	1.003	2	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(NC[6a])	122.3383	1.925	16	122.3383	3.705	16	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(NC[6a])	126.3785	0.022	2	126.3785	0.000	2	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	C(C[6a]C[6a]2)2(NC[6a])	122.6390	0.000	1	122.6390	0.000	1	122.2856	4.225	50	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	119.7880	0.000	1	119.7880	0.000	1	120.6737	3.999	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	121.5350	1.554	4	121.5350	2.415	4	120.6737	3.999	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a]Li)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Li)(NC[6a])	123.9670	0.000	1	123.9670	0.000	1	120.6737	3.999	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	124.4880	0.000	1	124.4880	0.000	1	120.6737	3.999	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[5a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[5a]C[6a])(NC[6a])	120.2870	0.000	1	120.2870	0.000	1	120.6737	3.999	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	121.2300	0.186	3	121.2300	0.035	3	120.6737	3.999	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	118.8488	1.137	6	118.8488	1.293	6	120.6737	3.999	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[5]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N[5])	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N[5])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	122.3092	0.991	8	122.3092	0.983	8	122.3092	0.983	8	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	123.2497	0.785	3	123.2497	0.616	3	122.8170	1.029	21	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	122.4587	0.672	10	122.2946	0.426	14	122.8170	1.029	21	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	121.8845	0.417	4	122.2946	0.426	14	122.8170	1.029	21	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	124.2450	0.137	2	124.2450	0.019	2	122.8170	1.029	21	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	123.9780	0.000	1	123.9780	0.000	1	122.8170	1.029	21	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	124.8140	0.000	1	124.8140	0.000	1	122.8170	1.029	21	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC)	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	126.2180	0.000	1	126.2180	0.000	1	126.2180	0.000	1	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)2(NC[6a])	120.0290	0.000	1	119.8005	0.104	2	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	119.5720	0.000	1	119.8005	0.104	2	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6]H)2(NC[6a])	120.2060	0.000	1	120.2060	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]Al)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]Al)(NC[6a]C)(NC[6a])	123.9670	0.000	1	123.9670	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]As)(NC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]As)(NC[6]2)(NC[6a])	133.3600	0.000	1	133.3600	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]As)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]As)(NC[6a]H)(NC[6a])	125.9320	0.000	1	125.9320	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]H)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5]H)(NC[6a])	122.0130	0.000	1	122.0130	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	120.0133	0.913	3	120.0133	0.834	3	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]Si)(NC[6a]H)(NC[6a])	126.3775	0.401	2	126.3775	0.161	2	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	119.4640	0.000	1	119.4640	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	120.3260	0.000	1	120.3260	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6]Al)(NC[6]C)(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6]Al)(NC[6]C)(NC[6a])	125.1560	0.000	1	125.1560	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]C)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]C)2(NC[6a])	119.8820	0.000	1	119.8820	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	119.3820	0.000	1	119.3820	0.000	1	122.4755	15.004	17	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:P-3:N-2:	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]H)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(PC[6]2)(NC[6a])	117.3580	0.000	1	117.3580	0.000	1	119.8895	7.454	4	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:P-3:N-2:	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]H)(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(PC[6a]2)(NC[6a])	121.7320	0.000	1	121.7320	0.000	1	119.8895	7.454	4	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:P-3:N-2:	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]In)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]In)(PC[6]2)(NC[6a])	117.7520	0.000	1	117.7520	0.000	1	119.8895	7.454	4	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:P-3:N-2:	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	122.7160	0.000	1	122.7160	0.000	1	119.8895	7.454	4	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:C-3:N-2:	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)2(NC)	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	120.8090	0.000	1	120.8090	0.000	1	120.8090	0.000	1	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N[5])	C[6a](C[6a]C[6a]C)2(NC)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N[5])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(NC[6a])	120.2400	0.337	2	120.2400	0.113	2	120.2400	0.113	2	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5]N)	C[6a](C[6a]C[6a]C)2(NC)	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:C-3:N-2:	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(NC[6a])	119.9490	0.000	1	119.9490	0.000	1	119.9490	0.000	1	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	122.7865	0.200	2	122.7865	0.040	2	122.1689	2.989	7	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	120.4190	0.000	1	120.4190	0.000	1	122.1689	2.989	7	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5a]N)	C[6a](C[6a]C[6a]H)2(NC)	C(N[5a]C[5a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a]2)(NC[6a]H)(NC[6a])	122.2975	2.160	4	122.2975	4.667	4	122.1689	2.989	7	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(CN[5a]N[6])	C[6a](C[6a]C[6a]H)2(NC)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N[6])	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(NC[6a])	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]C)2(NC)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	121.4598	0.642	5	121.4598	0.413	5	121.1960	0.370	9	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	121.2720	0.000	1	121.2720	0.000	1	121.1960	0.370	9	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]H)2(NC)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	121.0350	0.000	1	120.7310	0.152	3	121.1960	0.370	9	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]H)2(NC)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	120.5790	0.407	2	120.7310	0.152	3	121.1960	0.370	9	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-3:N-3:N-2:	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(NC)	C(PC[6a]2)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(PC[6a]2)(NC[5]H)(NC[6a])	121.2140	0.000	1	121.2140	0.000	1	121.2140	0.000	1	122.3518	4.027	238	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(CC[6a]2O)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2O)(NC[6a])	122.8090	0.713	2	122.8090	0.508	2	121.4707	2.623	10	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	124.4450	0.000	1	124.4450	0.000	1	121.4707	2.623	10	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	120.9680	0.000	1	120.9680	0.000	1	121.4707	2.623	10	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	121.0225	1.312	2	120.8134	1.197	5	121.4707	2.623	10	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	120.6740	1.209	3	120.8134	1.197	5	121.4707	2.623	10	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:N-2:	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	119.6090	0.000	1	119.6090	0.000	1	121.4707	2.623	10	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6]-4:N-2:	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	132.3550	0.000	1	132.3550	0.000	1	132.3550	0.000	1	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:C-4:N-2:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a]Cr)(CN[5]HH)(NC[6a])	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a]Cr)(CN[5]HH)(NC[6a])	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:C-4:N-2:	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C(N[5]C[5]2)(CC[6a]HH)(NC[6a])	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(NC[6a])	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:C-4:N-2:	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]H)2(NC)	C(N[6]C[6]2)(CC[6a]HH)(NC[6a])	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(NC[6a])	121.3260	0.000	1	121.3260	0.000	1	121.3260	0.000	1	122.1221	11.212	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(CC[6a]2C)(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(CC[6a]2C)(NC[6a])(O)	128.5990	0.000	1	128.5990	0.000	1	128.4145	0.068	2	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(CC[6a]HH)(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(CC[6a]HH)(NC[6a])(O)	128.2300	0.000	1	128.2300	0.000	1	128.4145	0.068	2	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[3x6]-4:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(C[3x6]C[6,6]3)(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(C[3x6]C[6,6]3)(NC[6a])(O)	128.5720	0.000	1	128.5720	0.000	1	128.5720	0.000	1	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){2|H<1>,3|C<3>}	C(C[5]C[5]2Fe)(NC[6a])(H)	119.4080	0.000	1	119.4080	0.000	1	118.7434	0.754	5	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C(C[5]C[5]2Fe)(NC[6a])(H)	118.5772	0.906	4	118.5772	0.822	4	118.7434	0.754	5	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C(C[5]C[5]2Fe)(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C(C[5]C[5]2Fe)(NC[6a])(O)	126.6695	0.969	2	126.6695	0.940	2	126.6695	0.940	2	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]2)2(NC)	C(CC[6a]HH)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C(CC[6a]HH)(NC[6a])(H)	118.9420	0.000	1	118.9420	0.000	1	118.4832	1.355	6	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC)	C(CC[6a]2C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CC[6a]2C)(NC[6a])(H)	118.0893	1.113	3	118.0893	1.238	3	118.4832	1.355	6	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6a]CC)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6a]CC)(NC[6a])(H)	117.5480	0.000	1	117.5480	0.000	1	118.4832	1.355	6	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:H-1:	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC)	C(CC[5a]C[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C(CC[5a]C[6a]O)(NC[6a])(H)	120.1410	0.000	1	120.1410	0.000	1	118.4832	1.355	6	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(CC[6a]2H)(NC[6a])(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]2H)(NC[6a])(O)	122.8610	0.000	1	122.8610	0.000	1	125.3308	14.223	5	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[5]CC)(NC[6a])(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[5]CC)(NC[6a])(O)	120.3550	0.000	1	120.3550	0.000	1	125.3308	14.223	5	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6]HH)(NC[6a])(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6]HH)(NC[6a])(O)	128.3790	0.000	1	128.3790	0.000	1	125.3308	14.223	5	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6a]HH)(NC[6a])(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a])(O)	125.6490	0.000	1	125.6490	0.000	1	125.3308	14.223	5	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC)	C(CN[5]HH)(NC[6a])(O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a])(O)	129.4100	0.000	1	129.4100	0.000	1	125.3308	14.223	5	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:S-1:	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6]CO)(NC[6a])(S)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6]CO)(NC[6a])(S)	119.2930	0.000	1	119.2930	0.000	1	119.2930	0.000	1	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[3]-4:N-2:O-1:	N(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[3]C[3,5]O[3]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[3]C[3,5]O[3]H)(NC[6a])(O)	126.9680	0.000	1	126.9680	0.000	1	126.9680	0.000	1	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5,5]-4:N-2:H-1:	N(C[6a]C[6a]2)(CC[5,5]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5,5]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:H-1:	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5]C[5]2C)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(NC[6a])(H)	119.6970	0.730	4	119.6970	0.533	4	120.0607	2.261	17	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:H-1:	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a])(H)	118.2760	1.294	3	118.2760	1.674	3	120.0607	2.261	17	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:H-1:	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(NC)	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(NC){1|C<3>,2|F<1>}	C(C[5]C[5]2Fe)(NC[6a])(H)	122.2835	0.209	2	122.2835	0.044	2	120.0607	2.261	17	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:H-1:	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]F)2(NC)	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C(C[5]C[5]2Fe)(NC[6a])(H)	120.2433	1.854	4	120.2433	3.437	4	120.0607	2.261	17	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:H-1:	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a])(H)	120.4690	0.194	4	120.4690	0.038	4	120.0607	2.261	17	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:O-1:	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C(C[5]C[5]N[5]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a])(O)	129.6810	0.000	1	129.6810	0.000	1	129.6810	0.000	1	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:N-2:H-1:	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6]2C)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(NC[6a])(H)	118.0960	1.627	3	118.0960	2.649	3	118.0960	2.649	3	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:N-2:O-1:	N(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]C[6]O[6]C)(NC[6a])(O)	N(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(NC[6a])(O)	128.5930	1.042	2	128.5930	1.086	2	128.5930	1.086	2	121.7000	16.212	47	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:O-2:	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(NC)	C(CN[5]HH)(NC[6a])(ONi)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a])(ONi)	119.4750	0.399	2	119.4750	0.159	2	119.4750	0.159	2	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:S-2:	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(NC)	C(CC[3]HH)(NC[6a])(SC)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,2|H<1>}	C(CC[3]HH)(NC[6a])(SC)	121.5760	0.000	1	121.5760	0.000	1	118.7340	3.829	4	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:S-2:	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C(CC[5]HH)(NC[6a])(SC)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C(CC[5]HH)(NC[6a])(SC)	117.7867	0.599	3	117.7867	0.359	3	118.7340	3.829	4	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[3]-4:N-2:N-2:	N(C[6a]C[6a]2)(CC[3]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[3]C[3]2H)(NC[6a])(NC)	N(C[6a]C[6a]2)(CC[3]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(NC[6a])(NC)	119.6415	1.620	2	119.6415	2.624	2	119.6415	2.624	2	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:O-2:	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]C[5]2Fe)(NC[6a])(OC)	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a])(OC)	121.8460	0.000	1	121.8460	0.000	1	121.8460	0.000	1	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:N-2:S-2:	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	124.8480	0.000	1	124.8480	0.000	1	124.8480	0.000	1	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-4:N-2:O-2:	N(C[6a]C[6a]2)(COP)	C[6a](C[6a]C[6a]C)2(NC)	C(PC[6a]2C)(NC[6a])(OLi)	N(C[6a]C[6a]2)(COP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(PC[6a]2C)(NC[6a])(OLi)	117.3160	0.000	1	117.3160	0.000	1	118.5600	3.095	2	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-4:N-2:O-2:	N(C[6a]C[6a]2)(COP)	C[6a](C[6a]C[6a]C)2(NC)	C(PC[6a]2N)(NC[6a])(OAl)	N(C[6a]C[6a]2)(COP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(PC[6a]2N)(NC[6a])(OAl)	119.8040	0.000	1	119.8040	0.000	1	118.5600	3.095	2	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-4:N-2:S-2:	N(C[6a]C[6a]2)(CPS)	C[6a](C[6a]C[6a]H)2(NC)	C(PC[5]Mo2)(NC[6a])(SMo)	N(C[6a]C[6a]2)(CPS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(PC[5]Mo2)(NC[6a])(SMo)	118.3830	0.000	1	118.3830	0.000	1	121.1395	15.197	2	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-4:N-2:S-2:	N(C[6a]C[6a]2)(CPS)	C[6a](C[6a]C[6a]H)2(NC)	C(PC[6]2S)(NC[6a])(SCu)	N(C[6a]C[6a]2)(CPS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(PC[6]2S)(NC[6a])(SCu)	123.8960	0.000	1	123.8960	0.000	1	121.1395	15.197	2	119.9473	5.646	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC)	C(CC[5a]HH)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC){1|N<3>,2|C<3>,2|H<1>}	C(CC[5a]HH)(NC[6a])(NCH)	122.8608	0.660	5	122.8608	0.436	5	121.8540	2.426	10	122.6829	4.756	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6a]HH)(NC[6a])(NCS)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a])(NCS)	120.1470	0.000	1	120.1470	0.000	1	121.8540	2.426	10	122.6829	4.756	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:N-3:	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC)	C(CC[6a]HN)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(CC[6a]HN)(NC[6a])(NCH)	121.0222	1.765	4	121.0222	3.114	4	121.8540	2.426	10	122.6829	4.756	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-4:N-2:C-3:	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)2(NC)	C(PC[6a]2Mo)(NC[6a])(CNP)	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(PC[6a]2Mo)(NC[6a])(CNP)	126.1060	0.000	1	126.1060	0.000	1	123.9953	4.512	3	122.6829	4.756	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-4:N-2:C-3:	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]H)2(NC)	C(PC[6a]2Cu)(NC[6a])(CNP)	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(PC[6a]2Cu)(NC[6a])(CNP)	122.9400	1.530	2	122.9400	2.341	2	123.9953	4.512	3	122.6829	4.756	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-4:N-2:N-3:	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC)	C(PC[6a]2N)(NC[6a])(NZnC)	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(PC[6a]2N)(NC[6a])(NZnC)	127.0340	0.000	1	127.0340	0.000	1	127.0340	0.000	1	122.6829	4.756	14	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC)	C(CC[6a]HH)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a])(CCHH)	120.9920	0.000	1	120.9920	0.000	1	121.3287	2.759	6	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(CC[5]HH)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CC[5]HH)(NC[6a])(CH3)	120.3070	0.000	1	120.3070	0.000	1	121.3287	2.759	6	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(CC[6a]HH)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a])(CC3)	123.8550	0.000	1	123.8550	0.000	1	121.3287	2.759	6	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(CP[5]HH)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CP[5]HH)(NC[6a])(CC3)	122.8790	0.000	1	122.8790	0.000	1	121.3287	2.759	6	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(CC[6a]HH)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]HH)(NC[6a])(CCHH)	119.6900	0.000	1	119.9695	0.156	2	121.3287	2.759	6	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:C-4:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C(CC[6a]HH)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a])(CCHH)	120.2490	0.000	1	119.9695	0.156	2	121.3287	2.759	6	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[4]-4:N-2:C-4:	N(C[6a]C[6a]2)(CC[4]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[4]B[4]C[4]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CC[4]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[4]B[4]C[4]H)(NC[6a])(CC3)	128.4170	0.000	1	128.4170	0.000	1	128.4170	0.000	1	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:C-4:	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]Cl)2(NC)	C(C[5]C[5]2Ru)(NC[6a])(CF3)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Ru)(NC[6a])(CF3)	123.9665	0.477	2	123.9665	0.228	2	122.2302	3.282	5	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:C-4:	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC)	C(C[5]C[5]2Fe)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a])(CH3)	119.7030	0.000	1	119.7030	0.000	1	122.2302	3.282	5	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:N-2:C-4:	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]C[5]2Ru)(NC[6a])(CF3)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Ru)(NC[6a])(CF3)	121.7575	0.189	2	121.7575	0.036	2	122.2302	3.282	5	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:N-2:C-4:	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6]2H)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(NC[6a])(CH3)	123.7870	0.000	1	123.7870	0.000	1	123.7870	0.000	1	122.4098	6.007	13	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:C-3:N-2:	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC)	C(CC[6a]2H)(CC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[5]H)(NC[6a])	122.7750	0.000	1	122.7750	0.000	1	122.7750	0.000	1	122.8920	2.443	23	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[3x6]-4:N-3:N-2:	N(C[6a]C[6a]2)(CC[3x6]N)	C[6a](C[6a]C[6a]C)2(NC)	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[3x6]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	126.1850	0.000	1	126.1850	0.000	1	126.1850	0.000	1	122.8920	2.443	23	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]Br)2(NC)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(NC[6a])	122.5700	0.000	1	122.5700	0.000	1	122.6308	1.965	20	122.8920	2.443	23	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	122.2495	0.528	2	122.6793	0.694	3	122.6308	1.965	20	122.8920	2.443	23	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	123.5390	0.000	1	122.6793	0.694	3	122.6308	1.965	20	122.8920	2.443	23	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)2(NC)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(NC[6a])	122.8624	1.589	12	122.8624	2.524	12	122.6308	1.965	20	122.8920	2.443	23	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]Cl)2(NC)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(NC[6a])	121.6047	1.469	3	121.6047	2.159	3	122.6308	1.965	20	122.8920	2.443	23	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NC[6a])	122.8440	0.000	1	122.8440	0.000	1	122.6308	1.965	20	122.8920	2.443	23	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	P-4:N-3:N-2:	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(NC)	C(PC[6]2B)(NC[6]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(PC[6]2B)(NC[6]H)(NC[6a])	124.9410	0.000	1	124.9410	0.000	1	124.9410	0.000	1	122.8920	2.443	23	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	4:4:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:C-4:N-2:	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]C[6]2H)(CC[6a]2C)(NC[6a])	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]2C)(NC[6a])	124.9210	0.000	1	124.9210	0.000	1	124.9210	0.000	1	124.9210	0.000	1	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	5:2:1:	C-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[3x3,4,3x5,14x6]-5:N-2:H-1:	N(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a])(H)	N(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a])(H)	120.1130	0.000	1	120.1130	0.000	1	120.1130	0.000	1	120.1130	0.000	1	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	5:2:2:	C-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[3x3,4,3x5,14x6]-5:N-2:S-2:	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a])(SIr)	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a])(SIr)	121.5100	0.484	2	121.5100	0.234	2	121.5100	0.234	2	121.5100	0.234	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	5:2:4:	C-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[3x3,4,3x5,14x6]-5:N-2:C-4:	N(CC[3x3,4,3x5,14x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a])(CC3)	N(CC[3x3,4,3x5,14x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a])(CC3)	131.2903	1.190	8	131.2903	1.416	8	131.2903	1.416	8	131.2903	1.416	8	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	6:2:1:	C-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5x3,5x5,20x6]-6:N-2:H-1:	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(H)	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(H)	118.1950	0.576	2	118.1950	0.331	2	118.1950	0.331	2	118.1950	0.331	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	6:2:2:	C-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5x3,5x5,20x6]-6:N-2:S-2:	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(SIr)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(SIr)	117.8150	0.000	1	117.8150	0.000	1	119.5965	6.347	2	119.5965	6.347	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	6:2:2:	C-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5x3,5x5,20x6]-6:N-2:S-2:	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(SRh)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(SRh)	121.3780	0.000	1	121.3780	0.000	1	119.5965	6.347	2	119.5965	6.347	2	121.3337	8.417	2684	121.3337	8.417	2684
941	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:	3:3:2:	6:2:4:	C-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5x3,5x5,20x6]-6:N-2:C-4:	N(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(CC3)	N(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(CC3)	133.1410	0.000	1	133.1410	0.000	1	133.1410	0.000	1	133.1410	0.000	1	121.3337	8.417	2684	121.3337	8.417	2684